Thank you Sir. gmx help explains it. I tried to compile the tools on gromacs-4.5 but somehow the installation was terminating with errors. Then I thought, you might have the modified gromacs copy. Anyway, I will try to install the tools on gromacs-4.5 template. Thank you sir for your time and concern.
On Thu, Jul 10, 2014 at 9:51 AM, Teemu Murtola <[email protected]> wrote: > Hi, > > > On Wed, Jul 9, 2014 at 7:13 PM, Venkat Reddy <[email protected]> wrote: > > > underprot = insolidangle center com of lipids span group "Protein" cutoff > > 5; > > > > I know the purpose of the above statement but I didn't get the meaning of > > some of the words, like "insolidangle" and "cutoff=5". If don't mind, can > > you please explain this statement? > > > > Please see 'gmx help selections keywords insolidangle' for a general > explanation. If that is not clear, I can clarify that further. > > There are some useful tools for spherical systems like g_jumpdist, g_rdf > > (modified)....etc that you explained in your presentation. Do you have > any > > modified gromacs copy with the inclusion of these tools. Because these > > tools are very important for my system. Sorry for such a lengthy mail. > > > > I have sent whatever I had for these tools to you personally in May 2013. > Not much has happened since, except that 'gmx distance', 'gmx gangle' and > 'gmx sasa' may be able to cover some parts of the needs. Due to various > reasons (most important of which is that I have left academia in 2010), it > has not been exactly fast to get any of those tools actually included in > Gromacs. > > I never had "modified Gromacs copy", but only a set of tools and the > selection engine that could be compiled against an existing Gromacs > installation. The selection engine was included in Gromacs 4.5, and the > code has changed a lot since, but the tools have not been updated and so do > not work with newer Gromacs versions without modifications. > -- > 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 [email protected]. > -- With Best Wishes Venkat Reddy Chirasani PhD student Laboratory of Computational Biophysics Department of Biotechnology IIT Madras Chennai INDIA-600036 -- 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 [email protected].
