AMBER Archive (2008)

Subject: Re: AMBER: Trans proline

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Sun Jul 20 2008 - 06:50:39 CDT

are you sure that leap only adds cis proline?
I have never experienced that myself, leap by default builds trans only.
you may be able to use the leap "impose" command to build
the alternate.

On Sun, Jul 20, 2008 at 1:53 AM, dipti lele <diptisl86_at_gmail.com> wrote:
> Hello .
> I have to make a peptide with trans proline into it. How should I go
> about it using tleap? Are there any parameter files for trans proline
> available? By default tlarp added cis proline only. But NMR data of my
> peptide says that the proline is in trans. I am kind of new to the field.
> Please guide me to resolve the problem...
>
> Thanking you,...
> Regards
> Deepti Lele
>
>
> --
>
> 

-- 
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
CMM Bldg, Room G80
Stony Brook University E-mail: carlos.simmerling_at_gmail.com
Stony Brook, NY 11794-5115 Web: http://comp.chem.sunysb.edu
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