[gmx-users] backmapping protein + dppc

Adriana Garro adrianagarrosl at gmail.com
Tue Jan 27 11:31:17 CET 2015

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:

I would really appreciate some advices in order to solve this.
Thanks in advance!


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