[gmx-users] First release candidate for GROMACS 5.0 is available

Andres Ortega Guerrero og_andres15 at hotmail.com
Mon Apr 7 18:59:36 CEST 2014


Hello, 
I installed, the gromacs 5.0 beta2, and i am interesting in the pull code, i have read the manual and theres no clear to me the definition of thepull-group0 , as in the gromacs 4.6.5, i thought that was with pull-group0-name, but grompp generate a warning that just dont recognize thefield, i also thought that was with pull-coord1-groups, and using a .index.ndx file and typing the index of the group reference, in my case 29 , and an error appear

i was wondering Mark if you could explain , the right way of defining a reference group, 
thanks in advance for help in this doubt
Andres Ortega 		 	   		  


More information about the gromacs.org_gmx-users mailing list