[gmx-users] What's the default pbc of Gromacs trajectories?

Hello, I just noticed the -pbc option for the trjconv command had changed after a version 3.3.x. The original -pbc inbox option were replaced by -pbc atom, -pbc mol etc. As I remember for early versions of Gromacs the default pbc of output trajectories was whole, which means no broken

Re: [gmx-users] What's the default pbc of Gromacs trajectories?

LuLanyuan wrote: Hello, I just noticed the -pbc option for the trjconv command had changed after a version 3.3.x. The original -pbc inbox option were replaced by -pbc atom, -pbc mol etc. As I remember for early versions of Gromacs the default pbc of output trajectories was whole, which means

RE: [gmx-users] What's the default pbc of Gromacs trajectories?

files are huge and the convertion takes time. Thanks, Lanyuan Lu Date: Mon, 28 Jul 2008 17:07:30 -0400 From: [EMAIL PROTECTED] To: gmx-users@gromacs.org Subject: Re: [gmx-users] What's the default pbc of Gromacs trajectories? LuLanyuan wrote: Hello, I just noticed the -pbc option

Re: [gmx-users] What's the default pbc of Gromacs trajectories?

the nstxtcout option in the .mdp file. -Justin Thanks, Lanyuan Lu Date: Mon, 28 Jul 2008 17:07:30 -0400 From: [EMAIL PROTECTED] To: gmx-users@gromacs.org Subject: Re: [gmx-users] What's the default pbc of Gromacs trajectories? LuLanyuan wrote: Hello, I just noticed the -pbc