Re: How to create psf for graphene

From: Axel Kohlmeyer (
Date: Sat Aug 04 2012 - 13:28:04 CDT

On Sat, Aug 4, 2012 at 8:04 AM, Monika Madhavi <> wrote:
> Do you know how to do it with VMD? coz I used VMD nanotube builder to create
> the graphene sheet.

why not ask somebody to write your paper for you, too?

you have already been given suggestions.
at the very least, please make an attempt
to follow up on those suggestions.

reposting the same question without showing
any kind of effort done by yourself, will only
irritate people. crossposting to irrelevant
mailing lists will only increase this irritation.

please keep in mind, that people here are
volunteering their time and that good and
helpful answers depend on good and
meaningful questions. in your case, a *lot*
of help can already be obtained by simply
sticking your question into a search
engine like google.

thanks for your attention,

> Thanks for your reply.
> Monika
> On Sat, Aug 4, 2012 at 6:00 AM, farzad kiani <>
> wrote:
>> hi
>> you can use Vega zz or VMD
>> in vega load your pdb files and save as xplor psf
>> if you use vega you should modify your atom type in psf file if your atom
>> type is "?"
>> and you should set graphene force field in charm file that you can run
>> with namd
>> ________________________________
>> From: Monika Madhavi <>
>> To:
>> Sent: Saturday, August 4, 2012 8:05 AM
>> Subject: namd-l: How to create psf for graphene
>> Dear all,
>> I created a graphene sheet using nanotube builder and obtained pdb file by
>> saving coordinates. How can I obtain the psf file for the sheet?
>> Thank you.
>> Monika

Dr. Axel Kohlmeyer
International Centre for Theoretical Physics, Trieste. Italy.

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