[gmx-users] proteins break up in simulation

sunyeping sunyeping at aliyun.com
Wed Jun 25 05:13:00 CEST 2014

Dear all,In my NPT explicit solvent simulation on the proteins with multiple chains, sometimes the protein can break up and its chains leave far from each other. We wonder if this is caused by the instability of the protein or improper simulation conditions. Could anyone give me some suggestions?Yeping

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