[AMBER] Can i combine the result given by sander and pmemd together

From: wangmt <wangmt.itcs.ecnu.edu.cn>
Date: Sat, 06 Dec 2014 17:21:54 +0800

Dear all,


I have a question about the use of sander and pmemd.

I want to calculate the free energy using TI. I have finished the
calculation corresponding to lambda = 0.1~0.9 by sander. Since i have to
use the soft core potential which is invalid in sander when lambda=0 and
1, so when lambda = 0 and 1, i calculated that by pmemd . Then the
question is that can I combine the two together to give a whole result
from lambda=0 to 1.

Thank you in advance for your help.

meting Wang
Institute of Theoretical and Computational Science
East China Normal University
ShangHai,china,200062

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Received on Sat Dec 06 2014 - 01:30:02 PST
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