[EMAIL PROTECTED] wrote:
Message: 1
Date: Tue, 26 Aug 2008 15:38:56 +0530 (IST)
From: [EMAIL PROTECTED]
Subject: [gmx-users] g_hbond output analysis
To: [email protected]
Message-ID: <[EMAIL PROTECTED]>
Content-Type: text/plain;charset=iso-8859-1
hi
i used the -num option for g_hbond run. since i new to gromacs i cannot
able to interpret the output form. it comes in 3 columns with the first
column indicating the frame, i dont know about the remaining two columns
Kindly suggest
Parthiban & sundar
------------------------------
Message: 2
Date: Tue, 26 Aug 2008 12:13:55 +0200
From: Florian Haberl <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] g_hbond output analysis
To: Discussion list for GROMACS users <[email protected]>
Message-ID: <[EMAIL PROTECTED]>
Content-Type: text/plain; charset="utf-8"
Hi,
On Tuesday, 26. August 2008, [EMAIL PROTECTED] wrote:
hi
i used the -num option for g_hbond run. since i new to gromacs i cannot
able to interpret the output form. it comes in 3 columns with the first
column indicating the frame, i dont know about the remaining two columns
if you use
g_hbond -h it tells you also if you have the legend inside the file (do
not
select -noxvgr)
2: Hydrogen bonds
3: Pairs within 0.35nm (depends on your select cutoff radius)
Kindly suggest
Parthiban & sundar
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greetings,
Florian
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Dear Florian & other users
can you pls. explain me in detail about the 3rd column in the g_hbond
output in -num option
it is the number of contacts, within the distance cut-off but not
h-bonded. this is used in the HB kinetics analysis.
Parthi & sundar
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