[gmx-users] forcefield format
Derrick Guang Yuh Lee
k24dgyl at mun.ca
Fri Aug 6 19:10:56 CEST 2004
dear gmx-users
i am attempting to make some edits to a forcefield and was curious of the
format of the rtp files. i.e. if using the ffoplsaa.rtp, under the residue
ALA, subsection atoms, there is the following:
[ atoms ]
N opls_238 -0.500 1
obviously the first is atom type and the second column is an identifier,
what are the remaining two? thank you in advance.
sincerely
- derrick
derrick Lee
faculty of Science
Memorial University of Newfoundland
k24dgyl at mun.ca / derrickglee at hotmail.com
"a teacher is never a giver of truth - he is a guide, a pointer to the
truth that each student must find for himself. a good teacher is merely a
catalyst."
- bruce lee
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