[gmx-users] Regarding g_sgangle index file

Teemu Murtola teemu.murtola at gmail.com
Mon Sep 23 19:49:05 CEST 2013


On Thu, Sep 19, 2013 at 7:19 PM, Venkat Reddy <venkat4bt at gmail.com> wrote:

> @Teemu Murtola: Are there any modifications to the other gmx tools? (eg:
> rdf calculation with dynamic selection...etc). I am trying to explore the
> new version.

Unfortunately, there are currently very few tools using the new mechanisms.
http://www.gromacs.org/Documentation/How-tos/Tool_Changes_for_5.0 lists
most of the changes: in practice, there's 'gmx distance' as a more flexible
alternative to computing distances, and g_select (now 'gmx select') has
gotten a few extra output options. There's also at least one new tool, 'gmx

Best regards,

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