I am using Amber10
And not sure how to change mm_pbsa_statistics.pm in mm_pbsa
Thanks
Xueqin
======= 2010-05-06 22:07:35 您在来信中写道：=======
>this is much easier in amber11 than in amber10. which amber version
>are you using?
>
>
>
>2010/5/6 pxq <pangxueqintea.yahoo.com.cn>:
>> Hello everyone,
>>
>> I am calculating binding free energy by mm-gbsa with dc=1. And can I get the decomposed free energies (such as ELE VDW) for every snapshots by make same change of mm_pbsa_statistics.pm and how to do so ?
>>
>> Thanks every much for your kind help
>>
>>
>>
>> Xueqin
>>
>>
>> =======================================================================================
>> Pang Xueqin
>> State Key Laboratory of Molecular Reaction Dynamics
>> Dalian Institute of Chemical Physics
>> Chinese Academy of Sciences.
>> Tel: 0411-84379352 Fax: 0411-84675584
>> =======================================================================================
>>
>> __________________________________________________
>> 赶快注册雅虎超大容量免费邮箱?
>> http://cn.mail.yahoo.com
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber
>
= = = = = = = = = = = = = = = = = = = =
致
礼！
pxq
pangxueqintea.yahoo.com.cn
2010-05-07
嗃i��'櫒ド╤∈&
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 06 2010 - 18:00:03 PDT
