From: Kenno Vanommeslaeghe (kvanomme_at_rx.umaryland.edu)
Date: Thu Oct 17 2013 - 16:15:10 CDT
- Like most people here, I don't answer this kind of questions per
personal e-mail. e-mailing the same question twice in two days (including
the same careless-looking typos) won't quite increase my motivation.
- I already told you I'm only here to help with CHARMM force field issues.
While I sometimes overstep this self-imposed boundary, you cannot count on
me to do so.
- Norman gave you some good advice to try out. Your e-mail makes no
mention of having tried that (or why not). We're not idiots; if one expert
spends the time to give you an answer, and you seemingly ignore it, other
experts will be unlikely to waste more time on you.
- I also gave you some advice: "I assume you have an advisor or senior lab
member who works in this field (if not, you probably shouldn't be trying
this). Ask them how to fix your system preparation errors." The simple
truth of the matter is that all the experts on this mailinglist combined
cannot possibly help all beginners in the world with their most basic issues.
- I was hoping for the CHARMM-GUI people to step in and give you some
pointers, but it appears you might have exhausted their patience as well.
Remember that not getting a reply doesn't mean your question hasn't been
seen...
- Even if someone here were still willing to help you, your're giving them
too little relevant detail, as I *also* told you, in my very first reply
(on a related note, you really might want to put a bit more effort into
reading replies). Please consider reading "How to Ask Questions the Smart
Way" by Eric S. Raymond, a classic essay explaining good practices in
asking questions to programmers (note that ESR uses the term "hacker" in
the sense of "expert programmer").
http://catb.org/esr/faqs/smart-questions.html
Most places have these kind of guide lines; take for instance the CHARMM
forums:
http://www.charmm.org/ubbthreads/ubbthreads.php?ubb=showflat&Number=29297
http://www.charmm.org/ubbthreads/ubbthreads.php?ubb=showflat&Number=30054&an=12
On 10/17/2013 10:44 AM, Vidhya Sankar wrote:
> --------------------------------------------------------------------------
> *WARNING*: The UMB email security system has determined the message below
> may be a potential threat.
> --------------------------------------------------------------------------
> Respected Sir,
>
> I am Doing Assembly of Cyclic Peptide in DPPC Bilayer To prepare the
> System I have used the charmm Gui Membrane Builder . This Charmm GUi
> Builder Uses the Charmm36 topology and FF parameters .( I have
> Neutralized the System using the same)
>
> But At the end of Minimization it shows Constraint Failure. But I have
> Not Manually Prepared the Peptide in Lipid System.
>
> But You said That there is Fault in the System Preparation ?
>
> Thanks In advnace
On 10/16/2013 04:40 AM, Vidhya Sankar wrote:
> --------------------------------------------------------------------------
> *WARNING*: The UMB email security system has determined the message below
> may be a potential threat.
> --------------------------------------------------------------------------
> Respected Sir,
>
> I am Doing Assembly of Cyclic Peptide in DPPC
> Bilayer To prepare the System I have used the charmm Gui Membrane Builder
> . This Charmm GUi Builder Uses the Charmm36 topology and FF parameters .(
> I have Neutralized the System using the same)
>
> But At the end of Minimization it shows Constraint Failure. But I have
> Not Manually Prepared the Peptide in Lipid System.
>
> But You said That there is Fault in the System Preparation ?
>
> Thanks In advnace
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:23:51 CST