[gmx-users] ngmx. molecules or atoms numbers?

Vitaly Chaban vvchaban at gmail.com
Tue Jun 24 09:26:27 CEST 2008

What numbers (of molecules or of atoms?) should contain 'index.ndx' in

"ngmx -n index.ndx"  ?

When using 'index.ndx' with molecules numbers it seems to read it as
those of atoms and when using 'index.ndx' with atoms it just refuses
to start (the section appeared in display->filter is inactive, I can't
select it to proceed).

Anyway, it there a way to make it take atom numbers?


Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svobody sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban

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