[Chimera-users] scan and minimization of dihedral angle

Milo Westler milo at nmrfam.wisc.edu
Mon Aug 25 09:47:02 PDT 2014

I'm using 1.8. I will upgrade. Thanks.

On Mon, Aug 25, 2014 at 11:30 AM, Elaine Meng <meng at cgl.ucsf.edu> wrote:

> On Aug 24, 2014, at 2:04 PM, Milo Westler <milo at nmrfam.wisc.edu> wrote:
> > I also sent a second message asking how to write out the parameters
> determined from antechamber. (write prmtop doesn't work for me)
> Hi Milo,
> I didn't see this other message (but maybe it hasn't come through for some
> reason), but I was able to use Write Prmtop on the ligand.pdb file you
> sent, in both Chimera 1.9 and the current pre-1.10 daily build.  The result
> from Chimera 1.9 is attached.  The files differed only very slightly, could
> have been rounding.
> You should use at least Chimera 1.9, as there was a Write Prmtop bugfix in
> that version.
> <http://www.rbvi.ucsf.edu/chimera/docs/relnotes/1.9.html>
> If you are using Chimera 1.9 or newer, but still get an error of some
> kind, you could report the bug (menu: Help… Report a Bug).  Thanks!
> Elaine
> ----------
> Elaine C. Meng, Ph.D.
> UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
> Department of Pharmaceutical Chemistry
> University of California, San Francisco

-- Milo
National Magnetic Resonance Facility at Madison
      An NIH-Supported Resource Center

W. Milo Westler, Ph.D.

NMRFAM Director
Senior Scientist
Adjunct Professor
Department of Biochemistry
University of Wisconsin-Madison
DeLuca Biochemistry Laboratories
433 Babcock Drive
Rm B160D
Madison, WI USA 53706-1544
EMAIL: milo at nmrfam.wisc.edu
PHONE: (608)-263-9599
FAX: (608)-263-1722
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