Re: [gmx-users] Difference in Number of contacts through g_hbond and g_mindist

2013-03-04 Thread bipin singh
Thanks a lot for the suggestions. It worked. On Mon, Mar 4, 2013 at 8:44 PM, Erik Marklund wrote: > As Justin implied, -merge could potentially make a factor of 2. Try > g_hbond -nomerge. > > Erik > > > On Mar 4, 2013, at 4:02 PM, bipin singh wrote: > > Thanks for the reply. >> The difference

Re: [gmx-users] Difference in Number of contacts through g_hbond and g_mindist

2013-03-04 Thread Erik Marklund
As Justin implied, -merge could potentially make a factor of 2. Try g_hbond -nomerge. Erik On Mar 4, 2013, at 4:02 PM, bipin singh wrote: Thanks for the reply. The difference is almost double, through g_hbond the average number of contacts are 1821 and through g_mindist it is 3643. The calcu

Re: [gmx-users] Difference in Number of contacts through g_hbond and g_mindist

2013-03-04 Thread bipin singh
Thanks for the reply. The difference is almost double, through g_hbond the average number of contacts are 1821 and through g_mindist it is 3643. The calculation group does not contains hydrogen atoms. On Mon, Mar 4, 2013 at 8:14 PM, Justin Lemkul wrote: > > > On 3/4/13 9:08 AM, bipin singh wrot

Re: [gmx-users] Difference in Number of contacts through g_hbond and g_mindist

2013-03-04 Thread Justin Lemkul
On 3/4/13 9:08 AM, bipin singh wrote: Hi All, I have a doubt regarding the calculation of number of contacts between two groups. Because, I am getting different number of contacts calculated through g_hbond -contact option and g_mindist -on option. I have used same cutoff for distance (0.6nm)

[gmx-users] Difference in Number of contacts through g_hbond and g_mindist

2013-03-04 Thread bipin singh
Hi All, I have a doubt regarding the calculation of number of contacts between two groups. Because, I am getting different number of contacts calculated through g_hbond -contact option and g_mindist -on option. I have used same cutoff for distance (0.6nm) in both the cases. -- *--