[gmx-users] Free energy calculation and position restraint

Da-Wei Li lidawei at gmail.com
Thu Mar 10 17:35:45 CET 2011


Dear all

>From Table 5.6 of Gromacs 4.5.4 manu, position restrain constants can be
interpolated in free energy calculations. However, I cannot find how to set
up this. Can somebody help?

thanks.

dawei
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