[gmx-users] Number of native contact

[Sandeep Somani]

hi

this bug has been fixed in the CVS as pointed out to me earlier by Ran
Friedman. 
see below ..

-sandeep

-----Original Message-----
From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of Ran Friedman
Sent: Friday, January 07, 2005 5:42 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] problem with g_mindist output


Hello,

Regarding the first problem, check
http://www.gromacs.org/pipermail/gmx-users/2004-May/010519.html

Ran.

Sandeep Somani wrote:

Hi all

i am facing a problem which was posted on the mailing list almost a year
back: 

> [gmx-users] g_mindist
> Fri Dec 12 14:12:01 CET 2003 
> Dear all,
> When I try to count the number of contacts of two groups, the output
> file numcont.xvg always shows 0 even when i set the distance is 4nm
> which is the same as my box. Why? What's the problem?
> Xiaoyi

in addition i dont think the option " -o   atm-pair.out " is working
correctly. 

could not find any helpful postings .. any updates on this would be
helpful .. 

am using  
:-)  VERSION 3.2.1  (-:

thnx
sandeep 




> -----Original Message-----
> From: gmx-users-bounces at gromacs.org 
> [mailto:gmx-users-bounces at gromacs.org] On Behalf Of llshen
> Sent: Monday, January 24, 2005 5:38 PM
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Number of native contact
> 
> 
> Dear gmx-users，
> I want to calculate time dependent number of contacts between 
> two groups.  As previously someone mentioned in the list, 
> g_mindist seems have problem to report righ number of 
> contacts. The output file numcont.xvg always reports 0, no 
> matter -d 2.0 or -d 0.3. 
> Is it a bug? How to fix it?
> 
> 
> 
> 
> Best,
> 
> 
> Lingling Shen
> 
> Max-Planck-Institut fuer biophysikalische Chemie
> Arbeitsgruppe fuer theoretische molekulare Biophysik
> Am Fassberg 11 D-37077 Goettingen, GERMANY
> 
> Tel.: +49(551)201-2321,  Fax.: +49(551)201-2302
> email: lshen at gwdg.de http://www.mpibpc.gwdg.de/abteilungen/071/shen/
> 
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