Dear Amber users
I went through the mailing archives and found out the suggestions as adding
bugfix 12 . I checked that by printing one step. Without the bugfix my job
was terminated at 77ps for so many times after using bugfix 12 it
terminated at 92ps and this was reproduced so many times tried with ntpr=1
as well there seems to be no problem with that.
I am running my job in methanol solvent earlier I did not find any problem
with it. I tried with GPU as well again there is some problem that could not
read the coordinate file as cordinate file is all NaN.
Any suggestion would be appreciated.
Thanks and Regards
Ashutosh Shandilya
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 25 2011 - 06:30:02 PDT
