Thank you for the quick answer. On two out of three computers we cannot find it anymore...

And another question, on PyMOL I have a residue called "new" and when I try to start the MD simulation it says "failure running ANTECHAMBER for residue NEW", how can I solve this issue? With a previous MD simulation that also contained a NEW residue it worked fine...

Thank you in advance for your help,

Manon

Manon Bulliard, PhD

EPFL | ISREC | Prof. Constam group

SV2837 | Station 19 | CH-1015 Lausanne

manon.bulliard@epfl.ch Thabk

De : Elaine Meng <meng@cgl.ucsf.edu>
Envoyé : vendredi 20 septembre 2024 18:36:24
À : Manon Bulliard
Cc : chimera-users@cgl.ucsf.edu
Objet : Re: [Chimera-users] MD on Chimera

Hello Manon,
Nothing changed. I just checked Chimera 1.18 right now, and it is in the same menu, Tools... MD/Ensemble Analysis... Molecular Dynamics Simulation.

Here is the help pagl, see the warning in the gray box for suitable uses of the tool:
<https://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/md/md.html>

Regards,
Elaine
-----
Elaine C. Meng, Ph.D.
UCSF Chimera(X) team
Resource for Biocomputing, Visualization, and Informatics
Department of Pharmaceutical Chemistry
University of California, San Francisco

> On Sep 20, 2024, at 8:36 AM, Manon Bulliard via Chimera-users <chimera-users@cgl.ucsf.edu> wrote:
>
> Good afternoon,
>
> I was using chimera to do molecular dynamic simulation. I had to download Chimera on my new computer and now have the 1.18 version. It seems this feature is not anymore present under Tools>MD/Ensemble Analysis>molecular dynamic simulation. Do you know where I can find it to still be able to perform my modeling as previously?
>
> Thank you in advance,
>
> Manon