> hi today i have tried to run the position restrained dynamics using my tpr > file > grompp -f pr.mdp -c 7/trp_b4pr.gro -p 1/trp.top -o 8/trp_pr.tpr > > But its showing the error > Fatal error: > number of coordinates in coordinate file (7/trp_b4pr.gro, 14580) > does not match topology (1/trp.top, 0) > > > can anyone help me sure! Please have a look at the files trp_b4pr.gro and trp.top. Then you check if the number of atoms in the *gro file (written on the second line) are the same with those in the *top file (written on the last lines). Your can delete some atoms in the *gro files to match those of in the *top file.
Phuong > > thanking you > santosh > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > 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 > _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
