[gmx-users] REGARDING TOPOLOGY FILE
subashinik at hotmail.com
Thu Jan 19 06:26:04 CET 2017
Hi gromacs users,
Had taken one organic molecule (ligand) and many water molecules using tleap of Amber tools 15.
Then generated .top and .gro file using acpype by the command,
acpype -p com_solvated.top -x com_solvated.crd -b ligand
However, while using the same for gromacs, obtained the following error
number of coordinates in coordinate file (conf.gro, 2751)
does not match topology (topol.top, 2071)
How to fix this error?
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