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AMBER Archive (2001)Subject: (no subject)
From: Yinghong Sheng (yhsheng_at_euch4e.chem.emory.edu)
Dear Sir and/or Madam,
I have some questions on using RESP, under directory
I am a very beginner for using this approach, and have some questions to
(1) In ethylene example, the system is neutral, if the molecule has one
(2) In file re_eth2.in, does -99 mean that constrain the charge derived
(3) I checked from Machine directory, there is no file for PC? Do you have
Thanks! very much!
Yinghong Sheng
re_eth1.in
*************
re_eth2.in
*************
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