Dear AMBER user,
I want to run a minimization for protein-ligand complex, but I want
the region within 5A from ligand are moving, all the remaining part
are fixed. What should I add in the *.in file to do that? (PS: I found
"cap" command but it's only for water)
Thanks in advance.
Nguyen T.B.
PhD student, Bioinformatics institute, Singapore
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Aug 31 2012 - 00:00:05 PDT
