Hy
I am running mmpbsa in amber 21 using the 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 trajectory.mdcrd*
but I am encountering an error which says "Complex natom != receptor
natom + ligand natom"
How to rectify this kindly help as I am badly stuck in this from the past
few months.
Thank you.
Regards
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jun 17 2023 - 03:30:02 PDT
