Re: [gmx-users] to print parameters used from force field

2013-06-18 Thread Mark Abraham
e top file. > > > > Haven't > > > > tried it yet, but it should work. > > > > > > > > /Flo > > > > > > > > --- > > > > Dr. rer. nat. Florian Dommert > > > > > > > >

Re: [gmx-users] to print parameters used from force field

2013-06-18 Thread gromacs query
gart > > > > > > Tel.: 0711-68563613 > > > Fax: 0711-68563658 > > > > > > > -Ursprüngliche Nachricht- > > > > Von: gmx-users-boun...@gromacs.org [mailto:gmx-users- > > > > boun...@gromacs.org] Im Auftrag von gromacs

Re: [gmx-users] to print parameters used from force field

2013-06-18 Thread Mark Abraham
> Fax: 0711-68563658 > > > > > -Ursprüngliche Nachricht- > > > Von: gmx-users-boun...@gromacs.org [mailto:gmx-users- > > > boun...@gromacs.org] Im Auftrag von gromacs query > > > Gesendet: Dienstag, 18. Juni 2013 10:42 > > > An: Discussio

Re: [gmx-users] to print parameters used from force field

2013-06-18 Thread gromacs query
3658 > > > -Ursprüngliche Nachricht- > > Von: gmx-users-boun...@gromacs.org [mailto:gmx-users- > > boun...@gromacs.org] Im Auftrag von gromacs query > > Gesendet: Dienstag, 18. Juni 2013 10:42 > > An: Discussion list for GROMACS users > > Betreff: Re: [gmx-u

AW: [gmx-users] to print parameters used from force field

2013-06-18 Thread Florian Dommert
MACS users > Betreff: Re: [gmx-users] to print parameters used from force field > > Dear Mark, > > > >> Grep? > > Sorry but I mean to say I have say .itp file like this > > [ bonds ] > ; ai ajfunctc0c1c2c3 > 1 21 &

Re: [gmx-users] to print parameters used from force field

2013-06-18 Thread gromacs query
Dear Mark, >> Grep? Sorry but I mean to say I have say .itp file like this [ bonds ] ; ai ajfunctc0c1c2c3 1 21 and so on [ angles ] ; ai aj akfunctc0c1c2c3 2 1 31 and so on. So I want to extract p

Re: [gmx-users] to print parameters used from force field

2013-06-18 Thread Mark Abraham
Grep? On Jun 18, 2013 10:23 AM, "gromacs query" wrote: > Dear All, > > Is there any way to print parameters used for system (just for the > atomtypes present in system). I have all necessary files (top, tpr, gro and > oplsa.ff) > > regards, > Jiom > -- > gmx-users mailing listgmx-users@gromac

[gmx-users] to print parameters used from force field

2013-06-18 Thread gromacs query
Dear All, Is there any way to print parameters used for system (just for the atomtypes present in system). I have all necessary files (top, tpr, gro and oplsa.ff) regards, Jiom -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search