Hi, Ilyas,
Would you mind sending me your prmtop file and crd file so I can take a
look. Ptraj uses a separate routine, other than the ambmask, to parse atom
masks. However, we try to match the specification described in the ambmask
manual.
Thanks,
Jianyin
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Received on Sun Jul 13 2008 - 06:07:31 PDT
