VMD-L Mailing List

From: snoze pa (snoze.pa_at_gmail.com)
Date: Wed Jul 25 2007 - 16:29:16 CDT

after renumbering the residue position, i am getting this error
message/warnings

ENERGY: 16 59623.1590 23155.0444 7366.8470
117.0456
-428657.3264 99527.72 0.0000 -238867.5087 -238867.5087
0.0000 11250.8926 16068.9796 1510326.2161

BRACKET: 4.92744e-07 70.1241 -2.97522e+08 -4.08148e+06 1.87886e+07
Warning: Bad global exclusion count, possible error!
Warning: Increasing cutoff during minimization may avoid this.
Warning: Bad global bond count!
Warning: Bad global angle count!
Warning: Bad global dihedral count!
Warning: Bad global improper count!

any suggestions

On 7/25/07, snoze pa <snoze.pa_at_gmail.com> wrote:
>
> set sel [atomselect top all]
> $sel set resid [$sel get residue]
> $sel writepdb renumbered.pdb
>
> when i am using above then it is rename the 20A to 20, 20B to 20 and so
> on.,.. but nothing working!
>
>