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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:1.9.2.28) 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
- [ESPResSo-users] vtf,
Muhammad Anwar <=