Re: [gmx-users] Frozen N2 in a very long tube

- Original Message - From: shuai shuai Date: Saturday, July 10, 2010 2:27 Subject: [gmx-users] Frozen N2 in a very long tube To: gmx-users@gromacs.org > Hear all, > > Recently I met a strong error from gromacs. Therefore I would > like to know > whether you have exper

[gmx-users] Frozen N2 in a very long tube

Hear all, Recently I met a strong error from gromacs. Therefore I would like to know whether you have experienced the same thing or what is the reason for that. The system I simulated is nvt MD for N2 (with partial charge) diffusion in a long tube (100x2.5x2.5 nm^3) at 300k. I get molecules freez

[gmx-users] Frozen N2 in a very long tube; was "help: gromacs mistake"

Dear shuai shuai: Please use a descriptive title. I renamed it. You must describe your problem more. e.g. is the problem that you get a frozen cluster in some simulations, or that you don't get this in other simulations? What, exactly, is a small cluster of frozen molecules? You must als