[gmx-users] grompp

[Tsjerk Wassenaar]

Hi Jestin,

Read chapter 5 thoroughly :)
It seems that in your topology file (minding the #includes) the directive [
system ] is given too early, e.g. before the definition of the [
moleculetypes ].

Tsjerk

On 25 Nov 2007 05:51:50 -0000, JMandumpal <jesbman at rediffmail.com> wrote:

> Dear Gromacs users,
>
> When I tried to build up  .tpr file for running energy minimisation, I
> encountered some problems:
>
> This is the command I used:
>
>
> grompp -f em.mdp -p topol.top -c out.gro -o pr.tpr
>
>
> and I received the following error message:
>
> Fatal error:
> Invalid order for directive system, file ""topol.top"", line 4
> -------------------------------------------------------
>
>
> How can I solve this?
>
>
> regards,
> Jestin Mandumpal
>
>
>
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
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