If suppose I have a peptide, 5 residues long and I want to mutate residues 3 and 4. Is tiMerge : 1-5 :6-10 :3,4 :8,9 the right way to have both the mutations at a time?
________________________________
From: Sowmya Indrakumar
Sent: Tuesday, March 07, 2017 3:55 PM
To: amber.ambermd.org
Subject: how to use TImerge to do TI simulations
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 - 07:30:03 PST
