AMBER Archive (2009)

Subject: [AMBER] MM_PBSA

From: Zhongjie Liang (zjliang_at_mail.shcnc.ac.cn)
Date: Tue Sep 29 2009 - 20:30:40 CDT

Dear users:

     I am doing MM_PBSA calculation, but there are two small molecules ( two
ligands) in my complex.

How should I deal with the parameters, for example:

 

PREFIX snapshot

PATH ./

#

COMPLEX 1

RECEPTOR 1

LIGAND 1

#

COMPT ./parm_com.top

RECPT ./parm_rec.top

LIGPT ./parm_lig.top

Should I just change the LIGAND 2 ,and add another LIGPT ./top file?

 

Thanks!

 

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