[gmx-users] Umbrella Sampling tutorial

shahab shariati shahab.shariati at gmail.com
Sun Dec 1 14:04:33 CET 2013

Dear Justin

Very thanks for your reply

I will slow pulling by changing pull_rate1 from 0.01 to 0.001
and pull_k1 from 1000 to 100.

I have a basic question. Before minimization, where should I put drug
molecule? into water molecules or into lipid bilayer? Should I put drug
molecule in the specific position?

Best wishes

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