Hello, I want to impose position restraints on chains a and b with fc=1000 1000 1000 but to fully release some residues at the same time. My topology file looks like this
; Include chain topologies #include "1klc_A.itp" - chain a topology #include "posre.a.1000.itp" - fc=1000 posres on chain a #include "posre.a.unc.0.itp" - fc=0 for some chain a residues #include "1klc_B.itp" - the same for chain b #include "posre.b.1000.itp" #include "posre.b.unc.0.itp" I include topologies considering that the next will "rewrite" the previous. Will that do? Thanks. SDA _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
