Re: [gmx-users] grompp problem

[jahanshah ashkani]

I didn’t find ccp address in your em.mdp file. Please add ccp.exe to your folder where you will run grompp and add following sentence to em.mdp file

cpp                 =  cpp

[EMAIL PROTECTED] wrote:

I used the temp.top instead of cals.top and i found the same message :
number of coordinates in coordinate file does not match
topology 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
>Reply-To: Discussion list for GROMACS users
>
>
>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
>
>
>
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