[gmx-users] trjcat eneconv time continuation

ut it doesn't recognize it. I was wondering if there is a way to make the above mentioned command-line to work non-interactively. The same applies for the eneconv tool when concatenating .edr files. Thanks in advance, -- David Rodríguez Díaz, PhD Student Fundación Pública Galega de Med

Re: [gmx-users] trjcat eneconv time continuation

2011/4/25 Mark Abraham > On 4/25/2011 8:42 PM, David Rodríguez wrote: > >> Hi, >> >> I am dealing with a special case of trajectory concatenation: I have >> several equilibration trajectories that their times are always restarted to >> 0, due employing diff

Re: [gmx-users] trjcat eneconv time continuation

2011/4/25 Tsjerk Wassenaar > Hi David, > > You should have as many lines with a 'c' as you have trajectories. > > Cheers, > > Tsjerk > Sure Tsjerk! Now options 2 and 3 (not 1) work, just that easy. Thank you so much. Best, David. > On Apr 25, 201

Re: [gmx-users] Restraining water

t; -- > gmx-users mailing listgmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the www interf

[gmx-users] settle constraints for spc water model

(see link above), it complaints for having more than one settle (suggests to use 3 normal constraints instead) at EM. I was wondering if someone would kindly provide that constraints for SPC (since the referred thread deals with TIP4). Thanks in advance. Best regards, -- David Rodríguez Díaz