[gmx-users] Fatal error: No such moleculetype Cl

[namita at ncbs.res.in]

Dear Users

When I try adding charges (negative charges by adding Cl), using the command

 /opt/gromacs/bin/grompp_mpi -np 32 -f em_cc.mdp -po det_em2.mdp -c
1A92_m1_neu.gro -p 1A92_m1.top -o 1A92_m1_em.tpr

it gives me the following error...

-------------------------------------------------------
Program grompp_mpi, VERSION 3.3.1
Source code file: toppush.c, line: 1293

Fatal error:
No such moleculetype CL
-------------------------------------------------------


Could anyone tell me what would be the possible reason for this error?

Thanks in advance

Namitha Mohandas
National Center for Biological Sciences
Tata Institute of Fundamental Research
Bangalore
India