AMBER Archive (2009)

Subject: [AMBER] Can we use GROMACS or NAMD for MD, and then use MM-PBSA to culculate binding energy

From: xueqin pang (pangxueqintea_at_yahoo.com.cn)
Date: Sun May 31 2009 - 07:47:57 CDT

Hello everyone,
 
Since AMBER may not be suitable for molecular dynamics of protein in lipide membrane, I want to know if we can use GROMACS or NAMD for MD, and then use MM-PBSA to culculate binding energy
 
 
Thanks very much
 

===================================================================================================
 Pang Xueqin
 State Key Laboratory of Molecular Reaction Dynamics
 Dalian Institute of Chemical Physics
 Chinese Academy of Sciences.
 Tel: +86-411-84379352 Fax: +86-411-84675584
 http://www.english.dicp.ac.cn/
===================================================================================================

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