[gmx-users] how to order atoms in GRO acording groups ?

[SemteX]

Hello gmx-users,

I have made MD with constrains and get *.gro file.

After grompp run i got warning about non-matching atoms, because after
partial dynamics my atoms (molecules) of SOL and NA+ groups get
disordered (differ from *.top file).

How to order my SOL and NA+ groups respectively ?

With best
Arturas


-- 
Best regards,
 SemteX                          mailto:a3arzi at vaidila.vdu.lt