[gmx-users] PBC ISSUES IN GROMACS

[David van der Spoel]

On 14/08/17 09:17, Neha Gupta wrote:
> Hi gromacs users,
> 
> After simulation for 5 ns, I generated a movie.pdb file using .gro and .xtc
> 
> However, in the movie file, I witnessed bizarre long bonds...
> 
> How to fix it?
> 
> Any suggestions please?
trjconv -pbc whole
> 
> 
> Thanks,
> Neha
> 


-- 
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
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