On 2/04/2010 3:07 PM, Lum Nforbi wrote:
Justin,
I appreciate your reply. Actually, I have read through the section
of building parameter files in chap. 5 several times. The only reason
for using atom types instead of numbers is because that is the way they
are represented in the ffcharmmbon.
Justin,
I appreciate your reply. Actually, I have read through the section of
building parameter files in chap. 5 several times. The only reason for using
atom types instead of numbers is because that is the way they are
represented in the ffcharmmbon.itp and ffcharmmnb.itp files. Numbers are n
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