Yes. This is also done in the 2013 paper by Kaus et al. HTH. Best. Yingchieh
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> wangmt <wangmt.itcs.ecnu.edu.cn> 於 2014年12月6日 下午5:21 寫道：
>
> 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 - 02:30:02 PST
