RE: [gmx-users] how to edit pdb file

PROTECTED] [EMAIL PROTECTED] On Behalf Of Justin A. Lemkul [EMAIL PROTECTED] Sent: Wednesday, May 21, 2008 9:50 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] how to edit pdb file Quoting "Wei, Xiupeng" <[EMAIL PROTECTED]>: > Dear GMX users, > I ha

[gmx-users] how to edit pdb file

Dear GMX users, I have a basic question. I want to put two same box in x direction. So I need increase the number of atoms and change their x coordinates,then combine it with the original one. But the file created by Excel can't be recoganized by gromacs. Is there any method in Gromacs

RE: [gmx-users] water can't freeze

t. If you want your water to crystallize, you'll actually have to make it - e.g., by putting it in contact with ice. Normally, pure water doesn't freeze on its own, you can easily verify this experimentally at home :) Best regards, Vasilii 2008/4/19, Wei, Xiupeng <[EMAIL PROTECTED]&

[gmx-users] water can't freeze

Hi gmx users, I'm a new Gromacs user. Till now, I can get pretty good simulation of ice melting to water, but why can't I simulate water freezing to ice? The .top and .gro files used for water freezing simulation are generated by ice melting to 310K. I changed the temperature in

[gmx-users] Can GROMACS simulate the bond forming and breaking

Hi GMX users, Can GROMACS simulate the bond forming and breaking? Thanks. Best, Super ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/