From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Thu Jun 11 2015 - 23:22:50 CDT
Sounds like you want to explore the "pbc wrap" command in VMD.
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From: owner-namd-l_at_ks.uiuc.edu <owner-namd-l_at_ks.uiuc.edu> on behalf of Francesco Pietra <chiendarret_at_gmail.com>
Sent: Thursday, 11 June 2015 7:34 PM
To: NAMD
Subject: namd-l: Recomposing the system splitted by periodicity
Hello:
Is any way available to NAMD - before continuing MD - to recompose in the same periodic box the whole system, made of homotetramer, ligands, water, where a protein unit, and some ligands, after 300ns appear in adiacent periodic box? Or is that matter for post analysis only, such as by VMD?
thanks
francesco pietra
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