[gmx-users] GROMACS on GPU

sunyeping at aliyun.com sunyeping at aliyun.com
Fri Jun 21 08:22:51 CEST 2013

Dear gromacs users,
Can anyone tell me how to make a mdp file for gromacs mdrun on NVIDIA GPU card, the following is a mdp file which runs well on cpu, but when I add the option "-testverlet" to mdrun in order to run it on GPU, it returns error "nonbond potiential is not supported....". Could you check the mdp file for me to see how to modefy it to make it suitable to GPU? Thanks in advance!
Yeping Sun

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