[gmx-users] REMD protein-ligand separation

[Iakov Polyak]

Dear David,
Did you also use "-ur compact" in trjconv command? It must help if you use
dodecahedron or octahedral geometry..

I also noticed that in 3.3.3 version one should use -pbc mol (not -pbc
whole) parameter, but in 3.3.1 I'm using "-pbc whole -ur compact" in 3.3.1..

Sorry if it didn't help.

Sincerely,

Iakov
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090107/ef16ed2f/attachment.html>