Hello
I was wondering if any user has constructed a lib/prep and a frcmod file
for a methylated histidine to share with me.
If no, what is the general procedure to make these files?
>From the tutorial: http://ambermd.org/tutorials/advanced/tutorial1_adv/
I understand that a RESP calculation must be made with R.E.D to get the
partial charges.
Then, I think some AmberTools must be used but I am not sure which.
Thanks in advance.
George
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Received on Mon Jun 03 2013 - 07:00:03 PDT
