[gmx-users] backmapping protein + dppc

[Tsjerk Wassenaar]

Hi Adriana,

The message says #include"gromos...
I guess you meant to have a space between them.

Cheers,

Tsjerk

On Tue, Jan 27, 2015 at 11:31 AM, Adriana Garro <adrianagarrosl at gmail.com>
wrote:

> Dear gromacs users,
>
> I am trying to backmap my system which is protein + dppc lipids.
> I built the atomistic topology file according to the KALP-15 tutorial
> created by Justin Lemkul.
> I have in my working directory a folder called gromos53a6_lipid.ff with all
> the files modified in line with the tutorial.
> Then I used this command line
>
>  ./initram.sh -f reimaged_coord.gro -o aa_gromos96-53A6.gro -to gromos53a6
> -p topol-gromos53a6_lipid.ff.top
>
> and after several steps I have the following error message
>
> Program grompp, VERSION 4.6.3
> Source code file: /usr/local/gromacs-4.6.3/src/kernel/topio.c, line: 640
>
> Fatal error:
> Syntax error - File backmapped.top, line 20
> Last line read:
> '#include"gromos53a6_lipid.ff/forcefield.itp"'
>
> I would really appreciate some advices in order to solve this.
> Thanks in advance!
>
> Adriana
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-- 
Tsjerk A. Wassenaar, Ph.D.