hi all,
with setting ntwv=-1 and ioutfm=1, i saved the combined coordinate and velocity file. however, when i use the ptraj to output the rst files, i find that all values of velocity in the rst files are zeros. why? how to output the velocities along with the coordinates?
thank you very much!
junjian
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Received on Fri Apr 22 2011 - 00:00:02 PDT
