[gmx-users] How to run solvation dynamics for some organic molecules
Ravi Kumar Venkatraman
ravikumarvenkatraman at gmail.com
Fri Aug 5 13:23:41 CEST 2011
I have generated .gro and .top file for Chloranil from prodrg
and tried solvate it using pre-equilibrated cyclohexane. When i tried to
generate the box containing solute it is not modifying the .top file and it
shows zero solvent.
Please help me how to solvate organic molecules that are obtainde from
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