[gmx-users] Re: topology file generation for a modeled structure

Mark Abraham Mark.Abraham at anu.edu.au
Mon Feb 8 12:34:51 CET 2010


On 08/02/10 19:40, bharat gupta wrote:
> Thanks for the help mdrun step is going on now .. but I wanna ask one
> thing that how can I visualize the minimized structure ..

Search the GROMACS webpage for visualisation software suggestions.

> The
> structure which I used initially is the minimized structure or not ??

That's up to you - you wrote (and kept a record of) the grompp command 
line, remember?

Mark



More information about the gromacs.org_gmx-users mailing list