subject:"\[gmx\-users\] Re\:Indexing specific atoms"

Re: [gmx-users] Re:Indexing specific atoms

2010-02-19 Thread Erik Marklund

shaya...@post.tau.ac.il skrev: Hello Parthiban, Can you elaborate more on the 'wrong answer'? Perhaps the following link can shed some light on the 'wrong' answer: http://lists.gromacs.org/pipermail/gmx-users/2009-March/040276.html [Deals with g_dist and PBC] Regards, -Shay Quoting parthi...@n

Re: [gmx-users] Re:Indexing specific atoms

2010-02-19 Thread shayamra

Hello Parthiban, Can you elaborate more on the 'wrong answer'? Perhaps the following link can shed some light on the 'wrong' answer: http://lists.gromacs.org/pipermail/gmx-users/2009-March/040276.html [Deals with g_dist and PBC] Regards, -Shay Quoting parthi...@ncbs.res.in: Hello, Can anyone

[gmx-users] Re:Indexing specific atoms

2010-02-19 Thread parthiban

Hello, Can anyone tell, how to index two specific atoms, (one form protein and one from ligand) eg; 440th atom of protein & 450th atom of small molecule or OED of small molecule. My second question is: how to calculate the distance b/w these two atoms. i tried g_dist by including the indexed fil