Hlo
I am running mmpbsa in amber 20 using the following command
*MMPBSA.py -O -i mmpbsa.in <
http://mmpbsa.in/> -o mmpbsa.out
-cp solv_8e1x_noh.com <
http://solv_8e1x_noh.com/>.prmtop
-rp 8e1x_noh.prmtop -lp 8480_10.3_opt_chim.prmtop -y *nc*
But I am encountering an error which says "PrmtopError: Complex nres !=
receptor nres + ligand nres.
How to rectify this kindly help as I am badly stuck in this.
Thank you.
Regards
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Received on Sun Jun 18 2023 - 22:30:04 PDT
