Dear Amber Users ,
I am trying to increase the number of receptor groups in use for mm_pbsa.pl.
I edited the file make_crd_hg.f , NMO=100
make make_crd_hg
It says make_crd_hg.f file is upto date and when I run mm_pbsa.pl
mm-pbsa.in
my log file says as receptor group cannot be more than 10.
Can anyone help me in how to make the change effective.
I am thankful for your suggestion.
John
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jan 14 2011 - 17:30:03 PST
