VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Tue Nov 04 2008 - 07:16:07 CST

Hi Nicolas,
had you previously gone through the other 3 steps in the same autopsf
session?
Also, what version of vmd are you using?
Best,
Peter

Nicolas Floquet wrote:
> Dear All, i have some problems to apply patches with the autopsf
> interface in VMD.
> Simply i would like to insert a disulfide bridge betwwen resid 228 and
> resid 217. I fill the step 4 as :
>
> DISU INOA:217 INOA:228
>
> but get the following error messages :
>
> when push on "apply patches and finish PSF/PDB": Error:can't read
> "logfileout":no such variable.
>
> When pushing anyway on "Im feeling lucky" i get: Error: resid missing
> from patch target INOA
> MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
>
> ..........
>
> Any suggestion ?
>
> Nicolas Floquet
>
> Montpellier, France.
>