From: Sascha Tayefeh (sascha_at_pc.chemie.tu-darmstadt.de)
Date: Mon Aug 29 2005 - 02:14:28 CDT
some simulation packages seem to encouter problems when restarting an
npt when appying constrains (i.e. fixing atoms). However, I have tested
these circumstances under NAMD and there seems to be no trouble.
To make sure, please, could someone confirm that using fixed atoms when
restarting a simulation under npt conditions in NAMD is NOT a problem?
Thank you very much
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