[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110310/91a86568/attachment.html>
More information about the gromacs.org_gmx-users
mailing list