VMD-L Mailing List

From: Miro Astore (miro.astore_at_gmail.com)
Date: Wed Jan 22 2020 - 19:19:44 CST

Hi all,

I was wondering if it's possible to manipulate a psf file within vmd
without needing a coordinate file.

vmd > $sel writepsf $sel
atomsel: frame -1 out of range for molecule 0

I understand why I am getting this error but I would like to change the
segnames of a psf file generated by another script which I do not (yet)
have coordinates for. I'm wondering if anyone has ideas how to get around
this.

Best, Miro