Re: anionic cysteine

From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Wed Dec 09 2015 - 04:23:03 CST

Ah, sorry. Memory playing tricks on me. In any case, I don't want to dissuade you from switching to 36 (I find it has many advantages) - but it shouldn't be too arduous (or problematic) to turn this one residue into a CHARMM-27 stream file.

Tristan Croll
Lecturer
Faculty of Health
School of Biomedical Sciences
Institute of Health and Biomedical Engineering
Queensland University of Technology
60 Musk Ave
Kelvin Grove QLD 4059 Australia
+61 7 3138 6443

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On 9 Dec 2015, at 8:13 PM, Francesco Pietra <chiendarret_at_gmail.com<mailto:chiendarret_at_gmail.com>> wrote:

Hi Trista:
Thanks for the input. CYSD is not in the official top_all27. Anyway, changing from 27 to 36 is becoming unavoidable, despite the much material I have in the 27.

francesco

On Wed, Dec 9, 2015 at 5:00 AM, Tristan Croll <tristan.croll_at_qut.edu.au<mailto:tristan.croll_at_qut.edu.au>> wrote:
I believe there's a patch for this (CYSD, from memory), although there's a comment beside it in the topology file saying it's fairly rough.

Cheers,

Tristan

Tristan Croll
Lecturer
Faculty of Health
School of Biomedical Sciences
Institute of Health and Biomedical Engineering
Queensland University of Technology
60 Musk Ave
Kelvin Grove QLD 4059 Australia
+61 7 3138 6443<tel:%2B61%207%203138%206443>

This email and its attachments (if any) contain confidential information intended for use by the addressee and may be privileged. We do not waive any confidentiality, privilege or copyright associated with the email or the attachments. If you are not the intended addressee, you must not use, transmit, disclose or copy the email or any attachments. If you receive this email by mistake, please notify the sender immediately and delete the original email.

> On 9 Dec 2015, at 1:09 AM, Francesco Pietra <chiendarret_at_gmail.com<mailto:chiendarret_at_gmail.com>> wrote:
>
> Hello:
> I would be grateful for charrm27 parameters for anionic cysteine (the equivalent of CYM in charmm36)
>
> thanks
>
> francesco pietra

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