Re: dump specific atom positions into a txt file during the simulation

From: Ajasja Ljubetič (
Date: Fri Aug 31 2012 - 03:44:42 CDT

> You have access to atomic coordinates and you can also write to files
> through Tcl Forces interface:
> or the Tcl Boundary interface:
That's a good idea!
What I have also done in the past is use the
with a dummy atom at the origin (as the ref group).
Another option is to run your simulations in shorter parts, pick the
desired atoms from the dcd using VMD or catDCD and delete the original
large dcd.

Best regards,

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:22:28 CST