[gmx-users] Need For a Script
psamrat10 at yahoo.com
Sun Jul 18 21:21:04 CEST 2010
I have been doing the pull simulations with your scripts and that are running
fine. Thanks a lot. Can I use implicit solvent model in pulling simulations? I
have gone through the mailing list and I found that it is not recommended (I may
be wrong). Please suggest.
Thanks in advance
From: Justin A. Lemkul <jalemkul at vt.edu>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Fri, July 16, 2010 5:18:44 PM
Subject: Re: [gmx-users] Need For a Script
Samrat Pal wrote:
> Dear All,
> I am a new GROMACS user. I have been able to solvate a protein in a water
>box and also to simulate it and unfold it by heating it. But I have facing
>problem with the script of AFM pulling. I want to unfold a protein by pulling
>the two ends of the protein. Can anyone give me a full script for that so that I
>can standardise my protocol? Suggestion is urgent.
Also, as a bit of advice, don't use the word "urgent" when asking for free
help. You're hoping someone else (who is busy) will find time to solve an issue
> Thanks in advance
> Samrat Pal
Justin A. Lemkul
ICTAS Doctoral Scholar
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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