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 (¨`•.•´¨)¸.•´ Smiling! `•.¸.•´ «•´`•.(*•.¸(`•.¸ ¸.•´)¸.•*).•´`•» «•´¨*•.¸¸. * ANIL *.¸¸.•*¨`•» «•´`•.(¸.•´(¸.•* *•.¸)`•.¸).•´`•» ANIL KUMAR(Research Scholar), Bio-Organic Lab No-336(2nd Floor), Dept. of Chemistry,I.I.T.Bombay,Powai, Mumbai-400076, Ph. No.-022-25764780(Lab) Mobile:-09819638547 ----------------------------------------- Residence:- Hostel#1,Room#297,IIT Bombay,Powai, Mumbai-400076,Ph.No.:-022-25721017(Hostel) --------------------------------------------------------------------------- "Time is money and duty is God.....To rise in life , you must respect both !!!!!" ---------------------------------------------------------------------------- On Tue, May 6, 2008 at 1:17 PM, <[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 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 > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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