From: Aashish Bhatt (aashish.ph16221_at_inst.ac.in)
Date: Fri Jan 10 2020 - 08:33:10 CST
I have tried to run the SMD calculation following the "*Methods for
calculating Potentials of Mean Force"* tutorial.
We using an amber topology file for SMD run. My equilibration dynamics are
running fine but when I performed the SMD the system showed
Is there any different file system needed for amber topology for
Can you please help me to resolve this issue.
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