On 8/08/2011 6:28 PM, Jinan Niu wrote:
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??
I don't quite follow your question, but for correlation functions to be
computed accurately, you need data collected much more frequently than
the relevant time scales. That can require good planning.
Mark
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