Re: [gmx-users] Gromacs insatallation on centos 6
On 2/20/14, 12:07 AM, Archana Sonawani-Jagtap wrote: Hi everyone, I want to install gromacs 4.5.4 on centos 6. Can anyone help me out in this. Any particular reason you want to install a very outdated version? In any case: http://www.gromacs.org/Documentation/Installation_Instructions_4.5 -Justin -- == Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA 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 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul == -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Gromacs insatallation on centos 6
On 20.02.2014 12:40, Archana Sonawani-Jagtap wrote: I have done most of the simulations using this version. However, I had to format my PC and have centos 6. Does it matter a lot if I compare simulations run using different versions of gromacs for publication. There is always a non-zero probability that changes in the implementations in new versions may lead to significantly different results when using force fields parametrized around problems of older versions. I can remember one case discussed in this group a while ago: simulation of a DPPC lipid layer in the liquid phase in 4.0.4 resulted in a gel phase (at same temperature, same parameters) with 4.5.x/4.6.x (I'm not sure about the correct version numbers but you get the point). If you compare across different gromacs versions then you should be *absolutely sure* that your results of significance don't differ accross versions. Otherwise, you have a small, but existing chance to get wrong results and end up with wrong conclusions. Regards M. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Gromacs insatallation on centos 6
Hi everyone, I want to install gromacs 4.5.4 on centos 6. Can anyone help me out in this. Thank you. -- Archana Sonawani-Jagtap Senior Research Fellow, Biomedical Informatics Centre, NIRRH (ICMR), Parel Mumbai, India. 9960791339 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
