Re: [gmx-users] Umbrella Sampling Force component output

2013-06-12 Thread Kenny Bravo Rodriguez
Thanks Erik On 06/12/2013 01:50 PM, Erik Marklund wrote: Hi, No, I'm afraid not. pull-dim not only determines what components are to be printed, it also determines in what dimensions the force is to be applied during the simulation. Erik On 12 Jun 2013, at 13:32, Kenny Bravo Rodriguez wro

Re: [gmx-users] Umbrella Sampling Force component output

2013-06-12 Thread Erik Marklund
Hi, No, I'm afraid not. pull-dim not only determines what components are to be printed, it also determines in what dimensions the force is to be applied during the simulation. Erik On 12 Jun 2013, at 13:32, Kenny Bravo Rodriguez wrote: > Dear Gromacs Users, > > I runned and Umbrella Sampli

[gmx-users] Umbrella Sampling Force component output

2013-06-12 Thread Kenny Bravo Rodriguez
Dear Gromacs Users, I runned and Umbrella Sampling simulation but I made a mistake in the value of the pull_dim option, so gromacs printed the z component of the force instead of the x component that i need (with the option -pf of mdrun). I have all files from the simulation. Is there a way to