[gmx-users] grompp

JMandumpal jesbman at rediffmail.com
Sun Nov 25 06:51:50 CET 2007


Dear Gromacs users,

When I tried to build up  .tpr file for running energy minimisation, I encountered some problems:

This is the command I used:


 grompp -f em.mdp -p topol.top -c out.gro -o pr.tpr


and I received the following error message:

Fatal error:
Invalid order for directive system, file ""topol.top"", line 4
-------------------------------------------------------


How can I solve this?


regards,
Jestin Mandumpal
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