Search found 2 matches

by mingxia323
Fri Sep 23, 2022 5:02 am
Forum: VTSTTools
Topic: neb2dim.pl ZERO DISTANCE BETWEEN IMAGES
Replies: 2
Views: 7229

Re: neb2dim.pl ZERO DISTANCE BETWEEN IMAGES

Hi Graeme,

Thank you for your reply. I changed the execute permission and it works now.

Thanks,
Mingxia
by mingxia323
Thu Sep 22, 2022 4:09 am
Forum: VTSTTools
Topic: neb2dim.pl ZERO DISTANCE BETWEEN IMAGES
Replies: 2
Views: 7229

neb2dim.pl ZERO DISTANCE BETWEEN IMAGES

Hi All,

I use neb2dim.pl file to generate files for dimer calculation after NEB calculation. However, when use perl directory/neb2dim.pl, it always shows that ZERO DISTANCE BETWEEN IMAGES. I use perl directory/dist.pl to check the distance, it is not zero. I tried to debug, it seems that for open ...