[gmx-users] bond lost (II)
zzhwise1 at 163.com
Mon Sep 18 08:01:42 CEST 2006
about the second question,is that ,when i use the md as integrator,the feedback show the atomnumber of gro was not the same as top which show 0 atom? but when i use the l-bfgs as integrator, there was no wrong,and goes smoothly!
and i never know why!
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