VMD-L Mailing List

From: Miro Astore (miro.astore_at_gmail.com)
Date: Wed Jan 22 2020 - 21:14:10 CST

Perfect, thank you.

On Thu, Jan 23, 2020 at 1:23 PM Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> Just created a frame of dummy coordinates with "animate dup".
>
> Axel
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste, Italy
>
> On Wed, Jan 22, 2020, 20:51 Miro Astore <miro.astore_at_gmail.com> wrote:
>
>> 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
>>
>