Re: Constraint failure in RATTLE algorithm for atom 6!

From: faride badalkhani (farideh.khamseh_at_gmail.com)
Date: Tue Apr 26 2016 - 16:47:59 CDT

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Dear Jeff,

Yes! I checked for it and and subtracted 1 to find the atom.

Regards,
Farideh

On Wed, Apr 27, 2016 at 2:13 AM, Jeff Comer <jeffcomer_at_gmail.com> wrote:

> NAMD messages use 1-based atom indices.
>
> Jeff
>
>
> –––––––––––––––––––––––––––––––––––———————
> Jeffrey Comer, PhD
> Assistant Professor
> Institute of Computational Comparative Medicine
> Nanotechnology Innovation Center of Kansas State
> Kansas State University
> Office: P-213 Mosier Hall
> Phone: 785-532-6311
> Website: http://jeffcomer.us
>
> On Tue, Apr 26, 2016 at 4:31 PM, faride badalkhani <
> farideh.khamseh_at_gmail.com> wrote:
>
>> I used the tcl command to construct the PSF.
>> the attached file is pdb and psf and the command I used to construct psf--001a11407a6422c94605316a3ff9--

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