Hi Amber Users,
Can someone please let me know how to restrain all heavy atoms in a protein
during MD or minimization using PMEMD ?.
I am able to use restraintmask in Sander, but not in PMEMD.
restraintmask='!.H='
Do we have anything like above to specify all heavy atoms in GROUP
specification method?
If possible, I just want to avoid mentioning all atom types (except hydrogen)
one by one in FIND - SEARCH.
thanks in advance.
Senthil
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Received on Mon Aug 02 2010 - 12:00:05 PDT
