- Original Message -
From: Gene Polovy
Date: Saturday, May 22, 2010 11:00
Subject: Re: [gmx-users] specifying interaction energy between residues
To: Discussion list for GROMACS users
> I'm trying to simulate three alpha spectrin repeats (R15, R16,
> R17) using a struct
From: Gene Polovy
> Date: Saturday, May 22, 2010 8:37
> Subject: [gmx-users] specifying interaction energy between residues
> To: gmx-users@gromacs.org
>
>> Hi There,
>>
>> I'm trying to run a course grained (c alpha) simulation of a
>
> Letting us know
- Original Message -
From: Gene Polovy
Date: Saturday, May 22, 2010 8:37
Subject: [gmx-users] specifying interaction energy between residues
To: gmx-users@gromacs.org
> Hi There,
>
> I'm trying to run a course grained (c alpha) simulation of a
Letting us know more abou
Hi There,
I'm trying to run a course grained (c alpha) simulation of a protein and I'd
like to know how/where I can define heterogeneous native interaction energies
between residues. Is it under [ pairs ] in the topology file? In other words,
I'd like to use a flavored model rather than a vanil
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