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

Hi, I am getting the following error. The ions.itp is included and I am using gromacs 4.0.5 with opls-aa and I included the Cl ion using genion. What am I doing wrong?? back Off! I just backed up mdout.mdp to ./#mdout.mdp.11# checking input for internal consistency... processing topology...

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

] Fatal error: No such moleculetype Cl Hi, I am getting the following error. The ions.itp is included and I am using gromacs 4.0.5 with opls-aa and I included the Cl ion using genion. What am I doing wrong?? back Off! I just backed up mdout.mdp to ./#mdout.mdp.11# checking input

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

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...

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

On Tue, 6 May 2008 13:17:29 +0530 (IST) [EMAIL PROTECTED] wrote: 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

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

Hi, You have not used the right command for adding the CL- ion to your system. Before adding/doing your simulation you must go through the manual and useful tutorial of John E. Kerrigan. Use genion command to add the charged ions. regards anil - (¨`•.•´¨) Always `•.¸(¨`•.•´¨) Keep (¨`•.•´¨)¸.•´

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

] [mailto:[EMAIL PROTECTED] On Behalf Of [EMAIL PROTECTED] Sent: 06 May 2008 08:47 To: gmx-users@gromacs.org Subject: [gmx-users] Fatal error: No such moleculetype Cl Dear Users When I try adding charges (negative charges by adding Cl), using the command /opt/gromacs/bin/grompp_mpi -np 32