Re: [OpenGrowth] Qusetions of opengrowth about SEED and REGROW

[Nicolas C. <nic...@gm...>]

Hi,

Thank you for your interest in OpenGrowth. This error is coming from
OpenBabel. Are you sure it has been properly installed? Did you compile
yourself OpenBabel and OpenGrowth? Did you run the example files and are
they working?

Nicolas

Le ven. 29 janv. 2021 à 16:05, 程宇杰 <che...@ni...> a écrit :

> Hi!
>
> I am a PhD. Student from nibs. I am learning using your OpenGrowth, which
> seems really powerful for drug design.
>
> However, I have met some problems. They maybe seems silly but make me
> confused.
>
> Here are my questions:
>
> 1, when I use a given ligand as a seed, I meet "ERROR: Could not setup
> force field.", so how can i setup the ligand's force field?
>
> 2, when I use REGROW, the the same error will arise again. the first
> fragment i use is Aldehyde, which doesn't look like the error mentioned in
> manual.
>
> 3, are there any test files of SEED model and REGROW.
>
>
> ​Thank you very much; your support is greatly appreciated.
>
>
>
>
>
>
> _______________________________________________
> OpenGrowth-discuss mailing list
> Ope...@li...
> https://lists.sourceforge.net/lists/listinfo/opengrowth-discuss
>