On Wed, March 10, 2010 at 3:35 PM, Joe Joe wrote:
> This is great. I was able to easily make a molecule that runs with
> OPLS-AA. Would it be possible to add a feature which creates an
>*.rtp
entry? It would be really useful for making non standard
>amino acids
and incorporating it with pdb2gm
Bruce,
This is great. I was able to easily make a molecule that runs with OPLS-AA.
Would it be possible to add a feature which creates an *.rtp entry? It would
be really useful for making non standard amino acids and incorporating it
with pdb2gmx.
Thanks,
Ilya
On Wed, Mar 10, 2010 at 11:07 AM,
I have uploaded to the user contributed software atgromacs.org a
further revision of topolbuild that includes support for OPLS-AA as
file topolbuild1_3.tgz
topolbuild 1.3
Reads a syntactically correct Tripos .mol2 file with charges to generate
something approximating gromacs *.gro, *.top, and *.
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