Re: [gmx-users] g_rms, matrix and raw data

Dear Mark I read the manual but I could not find any option to get the original values of the matrix. I will be highly appreciative if you can help. thanks Ninoo Mani --- Mark Abraham <[EMAIL PROTECTED]> wrote: > > Dear all > > > > I run g_rms with -m option that produce

[gmx-users] g_rms, matrix and raw data

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 A

[gmx-users] missing atoms

Dear gmx users   I have a protein molecule with few missing residues, a Lys 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 pl