Re: INTERNAL COORDINATES

From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Tue Mar 01 2016 - 08:28:33 CST

Internal coordinates are optional, as psfgen uses reasonable heuristics when they aren't present. They fix some edge cases that otherwise confuse atom placement, but usually the minimizer fixes the small discrepancies introduced.
Josh

On Mar 1, 2016 5:52 AM, faride badalkhani <farideh.khamseh@gmail.com> wrote:
Dear NAMD users,

Could you tell me if it is necessary to have internal coordinates in topology file or not?

Truly yours,
Farideh

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