Re: [AMBER] Xleap - disappearance of selection when trying to relax selection

From: David A Case <>
Date: Tue, 9 Jun 2020 16:37:30 -0400

On Tue, Jun 09, 2020, Billiot, Eugene wrote:

>I am having a problem in Xleap when I build a unit, select that unit and
>then try to relax it in Xleap. More often than not, at least lately,
>instead of showing the unit relaxing it simply disappears. What we have
>been doing is just repeat the whole process of building the unit and
>trying to relax it until it finally relaxes. We repeat the exact steps
>each time so it is not how we build the unit. Any ideas what is going on
>and how we resolve the issue.

I don't see this behavior on my machine. Can you say what OS and
compiler you are using? Maybe also a summary of what you did: are you
editing an existing unit, or creating one entirely from scratch?

That said, graphically building molecules in xleap is surely on its last
legs. I don't think anyone know much about how to fix the problem
anymore. I personally tend to use Avogadro for such tasks, but I've
never made any attempt to compare different programs.

There *is* an Amber-aware tleap/xleap replacement in the works, but it
is not really ready yet.


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Received on Tue Jun 09 2020 - 14:00:03 PDT
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