[AMBER] counterions present in topology files for the MMPSA calculation

From: Shilpa Gupta <guptashilpa0605.gmail.com>
Date: Wed, 5 Feb 2020 19:13:46 +0530

Dear Amber Users,
For MMPBSA run, i am generating the individual topology file of complex,
receptor , and ligand using ante-MMPBSA.py from the solvated system. I have
stripped the solvent as well as counterions but when i see the topology
file of complex and ligand it contains counterions named as IM, which can
not be recognised during MMPBSA run and error is coming. Is there any
solution for the problem? Thanks in advance.

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Received on Wed Feb 05 2020 - 06:00:03 PST
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