Respected sir/madem, i am using gromacs - 3.1.4 version on sunsolaris platform.i got error at position restrain at grompp step ,telling dat NO SUCH MOLECULE TYPE NA+(both are in caps).beofre dat the error which i got , ihv done following steps 1.first i hv excuted pdb2gmx command den i noted down the charge which given as out put.charge is -1 2.after editconf(-d 0.9),genbox ,energy minimization(grompp,mdrun) i had manipulated da .top file by adding #include 'ions.itp,removed one water molecloe from SOL and added NA+ 1 at da end of topology file . den i got error after runing da grompp of position restrain ,and i had changed pr.mdp file ,in that i was added da SOL,0.1,300 (temp) thanking u for ur patiency regards vijaya kumar hinge
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