[gmx-users] g_rms, matrix and raw data

[ninoo mani]

Dear all

I run g_rms with -m option that produces a matrix in
.xpm format. Is it possible somehow to obtain raw data
i.e. the real numerical values of the elements of the
matrix?
Thanking in advance,
Ninoo



__
Yahoo! India Answers: Share what you know. Learn something new
http://in.answers.yahoo.com/
___
gmx-users mailing listgmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

[gmx-users] missing atoms

[ninoo mani]

Dear gmx usersI have a protein molecule with few missing residues,  aLys with CG, CD, CE, NZ missing atoms, and  a Val with CG1, CG2 missing atoms.  I noticed that pdb2gmx reads the pdb file and places the missing atoms.  First I want to know whether gromacs places only missing atoms or it places the entire side chain?   Second, is gromacs' repaired molecule reliable for simulation or I should do homology modellingusing other softwares to repair the molecule?  Thanks,  Ninoo 
	

	
		 
Here’s a new way to find what you're looking for - Yahoo! Answers ___
gmx-users mailing listgmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php