[AMBER] how to use TImerge to do TI simulations

From: Sowmya Indrakumar <soemya.kemi.dtu.dk>
Date: Tue, 7 Mar 2017 14:55:53 +0000

Dear All,
I am new to doing TI simulations. I know how to insert a single mutation (as described in the AMBER manual: http://ambermd.org/doc12/Amber16.pdf page 405).
I was wondering if I can have two mutations? Is it possible to generate *parm7 and *.rst7 for a single mutation and further use that to have the second mutation?

I look forward to hearing your suggestions.
Thanks in advance.
Regards
Sowmya
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Received on Tue Mar 07 2017 - 07:00:02 PST
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