When i am running sander. Its not minimizing the structure. Ith showing
following error.
.... RESTARTED DUE TO LINMIN FAILURE ...
***** REPEATED LINMIN FAILURE *****
My input min.in file is
in vacuo minimization
&cntrl
imin = 1,
maxcyc = 1000,
ncyc = 200,
ntb = 0,
igb = 5,
cut = 999
/
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 02 2009 - 23:05:20 PDT
