Re: [AMBER] Problems on IRED analyses for order parameter

From: Ye Wei <>
Date: Mon, 13 Jan 2014 21:14:42 +0800 (CST)

Hi Dac,
I have tried Cpptraj with different tstep and tcorr, and ptraj.
For the order parameters, they have all the same results.
tstep and tcorr have nothing to do with order parameters but have close relationship with NOE and relaxations.
Thank you very much for your kind help.

At 2014-01-13 21:02:56,"David A Case" <> wrote:
>On Mon, Jan 13, 2014, Ye Wei wrote:
>> It is the same, in your description, between Cpptraj and ptraj in only
>> calculating the order parameters. Am I right?
>I'd suggest that you run an experiment to find out!
>AMBER mailing list

Wei Ye, PhD Candidate
Department of Bioinformatics and Biostatistics,
School of Life Science,
Shanghai Jiaotong University,
800 Dongchuan RD, Shanghai, China.
Tel:    18801970530
AMBER mailing list
Received on Mon Jan 13 2014 - 05:30:05 PST
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