[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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