8 19:27:38 +0100
From: David van der Spoel <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] Dihedral with parameters set to zero
To: Discussion list for GROMACS users
Message-ID: <[EMAIL PROTECTED]>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
van Bemmelen wrote:
OK. Now I&
Hmmm, thanks. An obvious solution, but I had not yet thought of that
myself.
Well, you know what they say:
Een dag niets geleerd is een dag niet geleefd! ;-)
>Date: Thu, 10 Jan 2008 19:27:38 +0100
>From: David van der Spoel <[EMAIL PROTECTED]>
>Subject: Re: [gmx-users] Dihedral
7;s ignore that for now.
but that can be solved by defining two dihedrals with different mult and
turn off one and turn on the other.
Date: Wed, 09 Jan 2008 20:41:19 +0100
From: David van der Spoel <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] Dihedral with parameters set to zero
To: Dis
w.
>Date: Wed, 09 Jan 2008 20:41:19 +0100
>From: David van der Spoel <[EMAIL PROTECTED]>
>Subject: Re: [gmx-users] Dihedral with parameters set to zero
>To: Discussion list for GROMACS users
>Message-ID: <[EMAIL PROTECTED]>
>Content-Type: text/plain; charset=ISO-885
van Bemmelen wrote:
Hi guys,
Probably too simple for you guys, but I just need to be sure:
Am I right if I say that a GROMOS96 proper dihedral with all parameters
set to 0 (done automatically by grompp) is exactly equivalent to no
proper dihedral at all, both with respect to all the energy term
Hi guys,
Probably too simple for you guys, but I just need to be sure:
Am I right if I say that a GROMOS96 proper dihedral with all parameters
set to 0 (done automatically by grompp) is exactly equivalent to no
proper dihedral at all, both with respect to all the energy terms and
with respect to
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