VMD-L Mailing List

From: CHARLES MCCALLUM (cmccallum_at_me.com)
Date: Thu Feb 10 2022 - 17:03:56 CST

Hi Artur,

What is the psfgen version? I believe it has to be at least 2.0.
1.9.3 is the current released version of VMD, but the alphas are at 1.9.4a50 or so, with psfgen 2.0.

Best
Mike

> On Feb 10, 2022, at 2:05 PM, Artur Hermano <artur.hermano_at_hotmail.com> wrote:
>
> Hello VMD community!
>
> I want to generate a psf file with hydrogen mass repartitioning, but the command for it appears to be invalid...
>
> I've tried through TkConsole:
> >package require psfgen
> >resetpsf
> >readpsf my.psf
> >hmassrepart
> >writepsf my.heavy.psf
>
> But I receive an invalid command name "hmassrepart" message and it doesn't work. I have also tried including the hmassrepart command in an input file directly to the psfgen binary, but have received the same error. My VMD version is 1.9.3, so I don't really know what is going on with this error.
>
> Can anybody help me out?
> Any help is very much appreciated!
>
> Thanks!
>
> Artur 

--
Mike McCallum
Morada/Stockton CA, USA
cmccallum at me ^dot^ com