From: Fugui (theoreticalchem_at_163.com)
Date: Wed Mar 27 2013 - 15:08:19 CDT
Dear all,
I am running an implicit solvent MD, and i tried to set the cutoff value to 9999, however, i got an error like that:
Charm++ fatal error:
FATAL ERROR: pairlistDist must be >= cutoff distance
But there is no problem if the cutoff value is lower than 8000, because i tried value from 10 to 8000 and there was no error. However, if the value is 9000, i got the error.
Finally, i set the cutoff value to be 16 which is from NAMD website :http://www.ks.uiuc.edu/Research/namd/2.8/ug/node31.html
I do not know whether the cutoff value will influence the result significantly, can anyone give me some information on that?
BW
Fugui
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