[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 :)
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