[gmx-users] Calculation of solvent and solute relaxation times
debayan.ch at gmail.com
Wed May 9 06:58:21 CEST 2012
Dear Gromacs users,
I am trying to find out the solvent
relaxation times from my molecular dynamics simulations. I think this might
require me to use g_rotacf. But I am not sure how to use this utility to
obtain relaxation times for the solvent. Also I would like to like at the
center-of-mass velocity autocorrelations and angular velocity
autocorrelations for the solute, for this purpose do I need to use
comm_mode = no.
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