Re: [gmx-users] RMSIP

2010-05-19 Thread Tsjerk Wassenaar
: > > > - Original Message - > From: pawan raghav > Date: Wednesday, May 19, 2010 16:28 > Subject: [gmx-users] RMSIP > To: gmx-users@gromacs.org > >> Thanks mark, but I think that g_anaeig calculates the degree of overlap then >> what method would you use to ca

Re: [gmx-users] RMSIP

2010-05-19 Thread Mark Abraham
- Original Message - From: pawan raghav Date: Wednesday, May 19, 2010 16:28 Subject: [gmx-users] RMSIP To: gmx-users@gromacs.org > Thanks mark, but I think that g_anaeig calculates the degree of overlap then > what method would you use to calculate this?> I don't kno

[gmx-users] RMSIP

2010-05-18 Thread pawan raghav
Thanks mark, but I think that g_anaeig calculates the degree of overlap then what method would you use to calculate this? -- Pawan -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search bef

Re: [gmx-users] RMSIP (Root mean square inner products)?

2010-05-18 Thread Mark Abraham
- Original Message - From: pawan raghav Date: Tuesday, May 18, 2010 17:34 Subject: [gmx-users] RMSIP (Root mean square inner products)? To: gmx-users@gromacs.org > Please tell me how gromacs calculates degree of overlap between > conformational spaces of the two proteins is i

[gmx-users] RMSIP (Root mean square inner products)?

2010-05-18 Thread pawan raghav
Please tell me how gromacs calculates degree of overlap between conformational spaces of the two proteins is it from RMSIP (Root mean square inner products)? if yes then give me the reference in gromacs tutorial 4.0 -- Pawan -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs

Re: [gmx-users] rmsip

2008-09-19 Thread Tsjerk Wassenaar
Hi Sanjay, The matrix correlation coefficient (aka subspace overlap) calculated by g_anaeig is different from the RMSIP as calculated by the script. Cheers, Tsjerk On 9/19/08, [EMAIL PROTECTED] <[EMAIL PROTECTED]> wrote: > thanks Tsjerk for your help. > I have calculated RMSIP value and overla

[gmx-users] rmsip

2008-09-19 Thread sanjay23
thanks Tsjerk for your help. I have calculated RMSIP value and overlap matrix using g_anaeig with tag -inrp and -over. i wat to conferm that is it same a we got from script that sended by u??? can i beleive on this result or nedd to check by using script. thanks a lot sanjay _