[gmx-users] old and new versions of gromacs

Justin Lemkul jalemkul at vt.edu
Sat Jul 20 13:17:02 CEST 2013

On 7/20/13 2:58 AM, mohammad agha wrote:
> Dear Gromacs Specialists
> I already worked with Gromacs-4.5.4. In the Gromacs site has been released new several versions. Has the old version (4.5.4) defects? Or are the new versions more complete? I want to continiue my simulations with 4.5.4, are there problems for it?
> I compared the manual of 4.5.4 and 4.6.3. In the 4.5.4 there are 88 commands and in 4.6.3 there are 96 commands.

Every new version has release notes associated with it so you know what has changed.


> If I want to install the 4.6.3 in ubuntu 12.10, what is the way of installation?




Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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