[gmx-users] .mdp file for polymer

Mark Abraham Mark.Abraham at anu.edu.au
Fri Feb 13 14:43:32 CET 2009


varsha gautham wrote:
> hello sir,
> 
> I made nstvout  and nstfout   parameters to zero and frequency to update 
> position coordinates alone (nstxout) to 1000.But still am getting only 
> one frame when viewed the trajectory in VMD.

Just like some other trajectory formats, you do have to open a structure 
file and then import the trajectory...

>It is an NVT ensemble.How 
> can i get more than one frame?I  think the timestep and nsteps i have 
> given is right only.Please help me out in this issue.

So what does gmxcheck or gmxdump tell you about your trajectories?

Mark



More information about the gromacs.org_gmx-users mailing list