Dear Amber12 users,
I am trying to set up a MMGBSA calculation with a dielectric constant of 4
but Amber12 is not recognising the "intdiel" variable.
I have seen some people discussing the same problem in:
"Re: [AMBER] mmPBSA.py: mmGBSA and solute dielectric constant"
I tried to use -make-mdins and then to add intdiel=4 in the _MMPBSA_gb.mdin
file, but I still get the same error:
"Unknown variable intdiel="
Could you kindly give me any advice how to sort this problem out?
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Received on Wed Apr 13 2016 - 10:00:03 PDT
