AMBER Archive (2004)

Subject: AMBER: ptraj radial

From: Sandro Fornili (fornili_at_dti.unimi.it)
Date: Fri Nov 05 2004 - 10:28:57 CST

Dear amber users,

 

I would like to use amber7 ptraj radial command to analyze a trajectory
produced under truncated octahedron pbc. Carnal seems to have problems with
these pbc. So, I would like to consider the “carnal”-type RDF that ptraj
would produce according to the amber7 manual. However, following the
directions of the manual I obtained only the “standard” and “volume”-type
RDFs. Should I activate a particular option to obtain “carnal” RDF?

 

Thank you in advance for your attention

 

Sandro L. Fornili

Dipartimento di Tecnologie dell'Informazione

Università degli Studi di Milano

Via Bramante 65, 26013 Crema (CR)

 

Tel. 02-503-30067 (in Crema 0373-898067)

Fax 02-503-30010 (in Crema 0373-898010)

Cell 3204379011

 

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