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[ESPResSo-users] vtf

From: Muhammad Anwar
Subject: [ESPResSo-users] vtf
Date: Mon, 2 Apr 2012 16:44:32 +0200
User-agent: Mozilla/5.0 (X11; U; Linux x86_64; en-US; rv: Gecko/20120313 Thunderbird/3.1.20

Hi dear users,
I am working with Espresso3.0.1 version. I am doing simulations in NPT ensemble. I want to compute the density,
For this i am computing the box length using
 set l [lindex [setmd box_l] 0 ],

Secondly, when i open vtf file where saving trajectories, the system size given in the vtf file is different from the "setmd box_l" which i am computing. Should not they be same? The system size in vtf is around double the "setmd box_l".
Thanks for your time.

Muhammad Anwar
PhD Student
Theory of Soft Condensed Matter
162 a, Avenue De La Faiencerie, BRB 0.05
Universite of Luxembourg
1511  Luxembourg

Tel. (+352) 46 66 44 6106

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