[gmx-users] Error in grompp minimization

Souilem Safa safasouilem1 at gmail.com
Tue Jun 11 02:51:30 CEST 2013

Dear gromacs users,

I'm trying to simulate a single molecule in cyclohexane.
I made a box of my molecule using editconf command and next I solvate with
cyclohexane using genbox command :
genbox -cp newbox_DRG.gro -cs chx.gro -p chx_DRG.top -o chx_DRG.gro

I did next a position restraint in the topolgy file and I tried to
minimize, i got this fatal error:
Fatal error:
No such moleculetype CHX

What could be the origin of this error.
Thanks :)

More information about the gromacs.org_gmx-users mailing list