[gmx-users] coarse-grained MD simulation
guozhicheng222
guozhicheng222 at 126.com
Thu Nov 21 10:25:53 CET 2013
Hi:
I have generated the coarse-grained potential (table.xvg) from the IBI procedure using VOTCA
and GROMACS. Subsequently, I want to use GROMACS to run coarse-grained MD simulation,
as mentioned below CG-MD. In the view of atomistic MD simulation using GROMACS, I need
topology file (topol.top), MD setting file (grompp.mdp) and structure file (conf.gro), however, is it
right for coarse-grained MD simulation? How can I incorporate the coarse-grained potential into
CG-MD. Thanks in advance for any help.
Best regards!
Zhicheng
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