subject:"\[gmx\-users\] PBC ISSUES IN GROMACS"

Re: [gmx-users] PBC ISSUES IN GROMACS

2017-08-14 Thread Mark Abraham

http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions had useful information Mark On Mon, 14 Aug 2017 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

Re: [gmx-users] PBC ISSUES IN GROMACS

2017-08-14 Thread 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

[gmx-users] PBC ISSUES IN GROMACS

2017-08-14 Thread Neha Gupta

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? Thanks, Neha -- Gromacs Users mailing list * Please search the archive at