VMD-L Mailing List

From: Cun Zhang (apzc2529_at_gmail.com)
Date: Wed Aug 11 2010 - 20:59:08 CDT

Hi,all
I have some problems when I deal with lammpstrj files in vmd.
I found the index of atoms will change to the line number of atoms
when the line number of atoms are not same as the index of atoms.
e.g.

a sequence from a pdb file as following:
ATOM 1 C UNK 1 102.970 86.780 51.730 1.00 0.00
C
*ATOM 3 C UNK 1 102.580 91.020 51.730 1.00
0.00 C
ATOM 2 C UNK 1 102.930 88.200 51.730 1.00 0.00
C *
ATOM 4 C UNK 1 102.280 92.400 51.730 1.00 0.00
C

when I import it into vmd, it will change to

ATOM 1 C UNK 1 102.970 86.780 51.730 1.00 0.00
C
*ATOM 2 C UNK 1 102.580 91.020 51.730 1.00
0.00 C
ATOM 3 C UNK 1 102.930 88.200 51.730 1.00 0.00
C *
ATOM 4 C UNK 1 102.280 92.400 51.730 1.00 0.00
C

I test pdb file and lammpstrj file, return the same result.
Except Re-ordering the pdb file, is there any way to fix it?

Thank you!

Cun Zhang 

-- 
Blog: http://www.edwardpku.com/cun