[gmx-users] Correlation Functions

Sina Omrani sinaomrani96 at gmail.com
Mon Jan 27 12:55:01 CET 2020


Hi,
1. Can we define a correlation function in GROMACS or we only can use those
that are already defined? If we can do it I appreciate a useful hint.
2. When I use gmx velacc command I get "Not enough trajectory frames" error
even though I used different nstvout. What frequency should I choose for
data collection? I've read the manual but there is not a rule for it.
Thank you.


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