Have a look at side-chain optimization programs like SCWRL4 (
http://dunbrack.fccc.edu/scwrl4/index.php). If this is what you are looking
for then running SCRWL4 will be much easier than setting up your one
restraints in GROMACS.
Thomas
On 24 February 2011 12:31, Carla Jamous wrote:
> Hi everyo
Carla Jamous wrote:
Hi everyone,
please I don't have access to the mailing list, (there must be a problem
in the archive) and I need to know if there's a way of doing energy
minimisation with restraints on the backbone. In other words, I want to
minimize the sidechaines in my protein withou
Hi everyone,
please I don't have access to the mailing list, (there must be a problem in
the archive) and I need to know if there's a way of doing energy
minimisation with restraints on the backbone. In other words, I want to
minimize the sidechaines in my protein without moving (or minimizing) th
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