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