[gmx-users] making index file

Anton Feenstra feenstra at chem.vu.nl
Thu Jan 15 10:13:06 CET 2004


Zhu, Qing wrote:

> Dear gmx-users:
>      I ran MD simulations on a hexameric bundle of Alm helices in a POPC bilayer. After 1-ns simulation I created an index group made up of some lipids, but I cannot make such index file using the same residue numbers after 10-ns simulation(the only difference is the simulation time length and the system told me "Group is empty"). It seems so odd that I am very confused.
>      Any helpul suggestions would be greatly appreciated.

Are you using shuffle and/or sort (grompp options that change the order
of molecules in your system)?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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