[gmx-users] NVE run

Neda Rafiee nerafiee at ipm.ir
Wed Mar 29 14:01:58 CEST 2017

Dear gromax users,
I have already run my system under NVE condition with dt=2fs and I found the energy drift about -7000 KJ/mol, then I repeated my simulation with dt=1fs again and I found the drift about -1900 KJ/mol. Is it a reasonable value or should I have a smaller drift?  THANKS.

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