[gmx-users] REGARDING TOPOLOGY FILE

[Subashini .K]

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?

Thanks,
Subashini.K