[gmx-users] RV: About Deuterium order parameters
Poncho Arvayo Zatarain
poncho_8629 at hotmail.com
Mon Nov 7 04:13:26 CET 2016
Hello gromacs users: I want to determine the deuterium order paramters for a dppc using gromacs 5.0.4 and i use the command: make_ndx -f npt.tpr -o sn1.ndx. Also i know that i need to do it too for sn2.ndx. But my question is: Should i make the index this way:
> a C34
> a C36
> a C37
> a C38
> a C50
> del 0-21
But when i used this from C40-C50 it appears:the group is empty and wheen i use del 0-21 it appears
that i remove system, other dppc, tip3, c34, c35, c36, c37, c38, c39, c40 and group 0-9 doesn´t exist
But sn1.ndx appears. Is there anything wrong?
or should i use: >a C34|>a C35...|>a C50|>del 0-21|q ?
More information about the gromacs.org_gmx-users