feenstra at few.vu.nl
Mon Sep 6 18:25:51 CEST 2004
Dinesh Pinisetty wrote:
> hello all,
> Could anyone tell what this error means and how to sort out
> Step0Warning: 1-4 interaction between 2401 and 2406 at distance larger than 2.4nm.
> These are ignored for rest of the simulation turn on -debug for more information.
This means you have two bonded atoms at 2.4 nm distance!
There is either an error in your topology, or molecules in your starting
structure are split over the pbc boundaries.
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/ |
| | "If You See Me Getting High, Knock Me Down" (RHCP) |
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