[gmx-users] Normal Mode Analysis

Mark Abraham Mark.Abraham at anu.edu.au
Wed Nov 9 22:27:58 CET 2011

On 10/11/2011 6:48 AM, James Starlight wrote:
> I've another question about NMA.
> 1- As I understood the Sparce matrix method is used on default in case 
> when my reference structure consist of alot of atoms. If this true the 
> output Hessian.mtx would be in sparce format, wouldn't it ?
> 2- How I can convert output.mtx to the txt format ? As the consequence 
> I want to obtain something like this
> http://www.csb.pitt.edu/prody/_downloads/oanm_hes.txt

GROMACS is not very helpful with matrices of data, unfortunately. You 
can dump the numbers out of the .mtx format with gmxdump, but you would 
be on your own to then convert it to some other format you want (i.e. 
write some script).


More information about the gromacs.org_gmx-users mailing list