[AMBER] Loading R.E.D server parameters into xleap

From: Sruthi Sudhakar <sruthisudhakarraji.gmail.com>
Date: Fri, 16 Oct 2020 15:20:13 +0530

Dear all,
I have generated forcefield parameters for a modified DNA base using RED
server. Following the tutorial, I made 2 pdb files, one of
dimethylphosphate and second of the modified DNA base. I have obtained the
output data and now confused regarding how to proceed forward. I have the
leaprc.q4mddft script. Could someone explain the procedure of including the
R.E.D server parameters into xleap?Do we need to modify the leaprc.q4mddft
file? Also how could I combine my molecules and place them inside a duplex?
Is there any tutorial available for this.?
Thanking in advance.
Regards,
Sruthi Sudhakar
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Received on Fri Oct 16 2020 - 03:00:02 PDT
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