Hi everyone,
These may be some basics. But how can I read the parameters in a .prmtop
file (e.g. I want to know the dihedral parameters including force constant
and periodicity) in human-readable text?
And what does those 'X's mean in parm99.dat (e.g. X -OS-P -X)? If the
combination is CT-OS-P -O2, should tleap automatically assign the dihedral
parameters of X -OS-P -X to this combination, since nothing else match this
combination?
Thanks,
Yun
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Received on Sun Jul 15 2012 - 16:00:04 PDT
