[gmx-users] Re: question about minimisation

J Peterson think_beyond at aol.com
Thu Jul 26 09:47:32 CEST 2012


Hi,

Did you call your genrestr output in your mdp file using define = * ? (for
example define = -DPOSRES ; where posres was your file name.)

Thanks

Peterson J



--
View this message in context: http://gromacs.5086.n6.nabble.com/question-about-minimisation-tp4999681p4999685.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.



More information about the gromacs.org_gmx-users mailing list