From: Marlet Martinez (marletm8_at_gmail.com)
Date: Tue Jun 19 2012 - 12:33:13 CDT
Dear all,
Thanks for your suggestions,
I already installed the 2.8 namd version but I can´t run my simulation,
it stops again after message below comes (I already attached my .log
file in the previous message). I am thinking maybe there is one problem
in my simulation because no matter what version I use (2.6 or 2.8) my
simulation stops automatically and coordinates are not even generated form
the 02.conf
-----------------------------
Info: CREATING 1716 COMPUTE OBJECTS
Info: NONBONDED TABLE R-SQUARED SPACING: 0.0625
Info: NONBONDED TABLE SIZE: 769 POINTS
Info: INCONSISTENCY IN FAST TABLE ENERGY VS FORCE: 0.000325096 AT 11.9556
Info: INCONSISTENCY IN SCOR TABLE ENERGY VS FORCE: 0.000324844 AT 11.9556
Info: INCONSISTENCY IN VDWA TABLE ENERGY VS FORCE: 0.0040507 AT 0.251946
Info: INCONSISTENCY IN VDWB TABLE ENERGY VS FORCE: 0.00150189 AT 0.251946
---------------
I would appreciate any suggestion,
Thanks in advance,
Mar,
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