NPT and FIXED atoms

From: Sascha Tayefeh (
Date: Mon Aug 29 2005 - 02:14:28 CDT

 Dear all,

 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

S. Tayefeh

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