Hello again,
I have been trying to overcome this 100 000 ESP points limit in RESP by
putting
different formats in resp.f file however still without success. I am not
familiar with
Fortran so I don't want to guess. I would be grateful if someone can advise
me
which format in which lines I should put to overcome this ESP limitation in
RESP.
I am using RESP included in release 1.0 of AmberTools.
Thanks,
Karol
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Received on Sun Jan 18 2009 - 01:26:37 PST
