Hi, gmx users: when I used g_velacc to calculate VAF, I found the minimum of dt could be taken to 0.1 ps, but smaller. If I want to gain more precise results, how can I do??
thanks! -- Sincerely yours Dr Ji-Nan Niu School of Materials Science and Engineering. China University of Mining and Technology. Jiangsu Province, XuZhou 221116 P. R. China _____________________________________________________ Email: njn0...@cumt.edu.cn
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