Re: R: Re: [gmx-users] simulation of a peptide anchored to a support

nks a lot to anybody will contribute to the discussion! Anna Date: Thu, 19 May 2011 19:17:20 +1000 From: Mark Abraham Subject: Re: [gmx-users] simulation of a peptide anchored to a support To: Discussion list for GROMACS users Message-ID:<4dd4e020.2080...@anu.edu.au> Content-Type: text/plain; charset=&

R: Re: [gmx-users] simulation of a peptide anchored to a support

ute to the discussion! Anna Date: Thu, 19 May 2011 19:17:20 +1000 From: Mark Abraham Subject: Re: [gmx-users] simulation of a peptide anchored to a support To: Discussion list for GROMACS users Message-ID: <4dd4e020.2080...@anu.edu.au> Content-Type: text/plain; charset="iso-8859-1" O

Re: [gmx-users] simulation of a peptide anchored to a support

On 19/05/2011 7:09 PM, Anna Marabotti wrote: Dear gmx-users, I would like to simulate the conformational behaviour of a peptide covalently anchored to a rigid support with its N- and C-ter. I'm not interested in simulating the support, so I wonder if there is a way to simulate the peptide with

[gmx-users] simulation of a peptide anchored to a support

Dear gmx-users, I would like to simulate the conformational behaviour of a peptide covalently anchored to a rigid support with its N- and C-ter. I'm not interested in simulating the support, so I wonder if there is a way to simulate the peptide with its N- and C-ter fixed. Could freezegrps work for