again.
-Original Message-
From: "Justin A. Lemkul" <[EMAIL PROTECTED]>
To: Discussion list for GROMACS users
Date: Mon, 31 Mar 2008 17:41:50 -0400
Subject: Re: Re: Re: [gmx-users] error with pdb2gmx when using AMBER ff in
GROMACS
Quoting OZGE ENGIN <[EMAIL PROTECTED]
, etc). Likely the model you've constructed has some
non-physical attributes.
-Justin
>
> Thank you Justin
>
> -Original Message-
> From: "Justin A. Lemkul" <[EMAIL PROTECTED]>
> To: Discussion list for GROMACS users
> Date: Mon, 31 Mar 2008 15:25:1
or GROMACS users
Date: Mon, 31 Mar 2008 15:25:11 -0400
Subject: Re: Re: [gmx-users] error with pdb2gmx when using AMBER ff in GROMACS
Quoting OZGE ENGIN <[EMAIL PROTECTED]>:
> I already indicated the problem that I have. If I put an N prefix to the
> first residue, I get warning of
Quoting OZGE ENGIN <[EMAIL PROTECTED]>:
> I already indicated the problem that I have. If I put an N prefix to the
> first residue, I get warning of having "long bonds." It has been indicated in
> the mail.Moreover, these long bonds can not be minimized during the
> minimization step. Although I p
I already indicated the problem that I have. If I put an N prefix to the first
residue, I get warning of having "long bonds." It has been indicated in the
mail.Moreover, these long bonds can not be minimized during the minimization
step. Although I put a relatively higher tolerance for the force
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