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

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

Hi, Andrea As Xiupeng is on th side of using proprietory software, Xemacs would definitely be an overdose. Hi, Xiupeng All you need is to know is basic PDB file format. ATOM records in PDB file is in fixed-width column format. You need to format your line according to what said here. http://

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

Quoting "Wei, Xiupeng" <[EMAIL PROTECTED]>: > 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 > rec

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

; Sent: Wednesday, May 21, 2008 3:24:46 PM Subject: [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

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

Hi, have look to this: http://stein.bioch.dundee.ac.uk/~charlie/software/pdb-mode/pdb-mode.html I found it very useful regards andrea Wei, Xiupeng wrote: > 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 a

[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