[gmx-users] trjconv -pbc cluster

[Anton Feenstra]

Hi,


I'm trying to keep two peptide monomers together for, e.g., rmsd analysis.
However, trjconv -pbc cluster gives me:

Select group for clustering
Selected 1: 'Protein'
Select group for output
Selected 1: 'Protein'
Back Off! I just backed up cluster2.xtc to ./#cluster2.xtc.1#
20470.000    ->  frame    470 time 20470.000
COM:    0.889     0.440     4.394  iter = 1
COM:    4.016     3.566     4.394  iter = 2
COM:    0.889     0.440     4.394  iter = 3
COM:    4.016     3.566     4.394  iter = 4

ad infinitum... I've tried continuing from a later frame, e.g. '-b 20500'
but that doesn't help, it gives this error right away at frame t=20500.

Any hints, anyone?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Room P275  Tel: +31 20 44 47608  Fax: +31 20 44 47610 |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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