On 4/30/12 12:26 PM, Hovakim Grabski wrote:
Dear Gromacs users,
I want to set up an umbrella sampling simulation of an Hypericin dimer.
I have created position restraint filesfor hypericin with genrestr and then
use it with the topology file, so I want to know if it is just restraining one
of
Dear Gromacs users,
I want to set up an umbrella sampling simulation of an Hypericin dimer.
I have created position restraint files for hypericin with genrestr and then
use it with the topology file, so I want to know if it is just restraining one
of the Hypericin Molecules or both of them?
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