[gmx-users] grompp problem with trr input option....

[David van der Spoel]

sgaray at fbcb.unl.edu.ar wrote:
> Hi all
> 
> When I run grompp with a trr input file using the command line showed below
> 
> grompp -np 2 -t run_1.trr -f md_2 -p topol_2.top -o run_2
> 
> it gives me a error:
> 
> Program grompp, VERSION 3.3.1
> Source code file: futil.c, line: 340
> 
> File input/output error:
> conf.gro
> 
> Could anyone tell me how I can fix it?

you need to supply a conf as well. it will not be used.
> 
> Thank you in advance.
> 
> Sergio Garay
> Biochemist
> Facultad de Bioq. y Cs. Biológicas
> Universidad Nacional del Litoral
> Santa Fe - Argentina
> 
> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se