Dear Amber10 users,
Greetings.
I am receiving the following error, when running a short test of
minimization.
NSTEP ENERGY RMS GMAX NAME NUMBER
1 6.8820E+07 NaN 4.8579E+08 O 6909
BOND = 331518.9485 ANGLE = 122306.0419 DIHED =
25856.5243
VDWAALS = 29603626.4080 EEL = -157089.9138 EGB =
-11490.7944
1-4 VDW = 38871594.5924 1-4 EEL = 33205.3388 RESTRAINT =
0.0000
I didn't understand the origin of this verbosity in my MPI.
Regards
Alabert
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 06 2009 - 17:40:47 PDT
