I used the temp.top instead of cals.top and i found the same message : number of coordinates in coordinate file <cals.pdb,134637> does not match topology <temp.top,0> although the temp.top is not empty. I run gromacs on windows. >-- Original Message -- >Date: Sun, 2 Jul 2006 09:14:53 -0700 (PDT) >From: jahanshah ashkani <[EMAIL PROTECTED]> >Subject: Re: [gmx-users] grompp problem >To: Discussion list for GROMACS users <[email protected]> >Reply-To: Discussion list for GROMACS users <[email protected]> > > >Hi, Do you have any temp.top in your folder where you ran genbox? If is yes, >you can use it instead of cals.top. > >[EMAIL PROTECTED] wrote: encountered the problem when running grompp: >Fatal error : number of coordinates in coordinate file >does not match topology > > >the em.mdp file is as follows : >; >; User spoel (236) >; Wed Nov 3 17:12:44 1993 >; Input file >; > > >constraints = none >integrator = steep >nsteps = 100 >; >; Energy minimizing stuff >; >emtol = 2000 >emstep = 0.01 > >nstcomm = 1 >ns_type = grid >rlist = 1 >rcoulomb = 1.0 >rvdw = 1.0 >Tcoupl = no >Pcoupl = no >gen_vel = no > > > >___________________________________________________________ > >Tiscali Broadband from 14.99 with free setup! >http://www.tiscali.co.uk/products/broadband/ > > >_______________________________________________ >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 > > > __________________________________________________ >Do You Yahoo!? >Tired of spam? Yahoo! Mail has the best spam protection around >http://mail.yahoo.com >_______________________________________________ >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
___________________________________________________________ Tiscali Broadband from 14.99 with free setup! http://www.tiscali.co.uk/products/broadband/ _______________________________________________ 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
