Il 16/03/2012 01:38, Mark Abraham ha scritto:
On 16/03/2012 6:02 AM, Francesco Oteri wrote:
Dear gromacs users,
I am trying to simulate a protein (containing FeS cluster and a
complex metal active site) using virtual site.
I've to face a problem with LINCS. In particular, if I constrain only
Dear gromacs users,
I am trying to simulate a protein (containing FeS cluster and a complex
metal active site) using virtual site.
I've to face a problem with LINCS. In particular, if I constrain only
h-bonds without using virtual site,
simulation runs fine but constraining all-bonds,
On 16/03/2012 6:02 AM, Francesco Oteri wrote:
Dear gromacs users,
I am trying to simulate a protein (containing FeS cluster and a
complex metal active site) using virtual site.
I've to face a problem with LINCS. In particular, if I constrain only
h-bonds without using virtual site,
simulation
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