Re: [AMBER] torsion parameters in parm99.dat

From: xqkong <xqkong.mail.shcnc.ac.cn>
Date: Sat, 18 Dec 2010 20:02:30 +0800

Dear Nilov,
   Thank you very much!
   Best regards!
   Xiangqian Kong
Dmitry Nilov <nilovdm.gmail.com> 在 Sat, 18 Dec 2010 10:55:44 写道:
>>                               V1/2           V2/2           V3/2
>> SP-CT-CT-CT      -1.6814       1.0698       -0.0001
>>
>> I speculate that the PN (periodicity) should be 3, and the PK should be
>>  -1.6814;  1.0698; -0.0001.
>
>..And periodicity should be 1 for V1/2, 2 for V2/2, and 3 for V3/2.
>
>--
>Dmitry Nilov,
>Lomonosov Moscow State University
>
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>



Best regards,
Xiangqian Kong
Drug Design and Discovery Center,
Shanghai Institute of Materia Medica,
The Chinese Academy of Sciences,
Shanghai 201203,P. R. China
Email: xqkong.mail.shcnc.ac.cn
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Received on Sat Dec 18 2010 - 04:30:02 PST
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