[gmx-users] New Gromacs-CPMD QMMM webpage
scvsankar_agr at yahoo.com
Wed Aug 20 13:55:20 CEST 2008
i am vidhya sankar speaking . i am not able to down load QM/MM exampiles files since it take much time and huge memory (156Mb) often net is disconnected
could you please send some example input files of CPMD part mainly 'CPMD_inp.tmpl' 'runcpmd' ?
please i am expecting your reply soon
--- On Fri, 15/8/08, Pradip Biswas <biswas.pk at gmail.com> wrote:
From: Pradip Biswas <biswas.pk at gmail.com>
Subject: [gmx-users] New Gromacs-CPMD QMMM webpage
To: gmx-users at gromacs.org
Date: Friday, 15 August, 2008, 4:41 AM
The modified Gromacs code for Gromacs-CPMD QMMM is now available at:
Please note that we fixed a bug related to MM layering in the version gmx-3.3.1_qmmm-1.3.1 and uploaded a new version, gmx-3.3.1_qmmm-1..3.2. If you are using version 1.3.1, you should upgrade to v-1.3.2 or contact us (biswas.pk at gmail.com) to fix the typos in v-1.3.1.
The site http://comppsi.csuohio.edu/groups/qmmm.html is offline because of lab renovation and will not be maintained hereafter. The Gromacs-CPMD page will henceforth be continued in the above mentioned site.
Pradip K Biswas.
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