Tue, 19 Jul 2011 11:08:55 -0700 (PDT)
From: "Austin B. Yongye" mailto:ybau...@yahoo.com>>
Subject: Re: [gmx-users] Conversion of the GLYCAM dihedral parameters
in the GROMACS format.
To: Discussion list for GROMACS users mailto:gmx-users@gromacs.o
respectively. Once a positive value
is reached, terms for the O2-P-OS-CP potential have been completely accounted
for.
Hope that helps.
Austin-
--- On Tue, 7/19/11, Mark Abraham wrote:
From: Mark Abraham
Subject: Re: [gmx-users] Conversion of the GLYCAM dihedral parameters in the
G
gt; 0.0 1
> -3, -2 and 1 signify V3, V2 and V1 terms, respectively. Once a positive
> value is reached, terms for the O2-P-OS-CP potential have been completely
> accounted for.
>
> Hope that helps.
> Austin-
>
>
> --- On Tue, 7/19/11, Mark Abraham wrot
] Conversion of the GLYCAM dihedral parameters in the
GROMACS format.
To: "Discussion list for GROMACS users"
Date: Tuesday, July 19, 2011, 7:08 AM
On 19/07/2011 11:56 PM, sa wrote:
Dear
GROMCS users,
On 19/07/2011 11:56 PM, sa wrote:
Dear GROMCS users,
I am trying to convert some GLYCAM parameters in GROMACS format. For
this purpose, I am using the latest GLYCAM parameters downloaded from
the RJ. Woods' website and the examples given in the acpype code (here
for the dihedral angles) :
Dear GROMCS users,
I am trying to convert some GLYCAM parameters in GROMACS format. For this
purpose, I am using the latest GLYCAM parameters downloaded from the RJ.
Woods’ website and the examples given in the acpype code (here for the
dihedral angles) :
http://code.google.com/p/acpype/source
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