[gmx-users] friction constant for free energy calculation
minky0710 at gmail.com
Wed Feb 6 13:28:45 CET 2019
Dear gmx users,
I was trying to calculate free energy.
I’m confused about setting the appropriate value for friction constant (=
In gmx manual, a value of 0.5 ps-1 (tau-t = 2.0 ps) was suggested
but 1.0 ps-1 (tau-t = 1.0 ps) was used in Justin’s tutorial.
How much the results are different by the use of tau-t value 1.0 or 2.0
Thanks in advance.
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