Re: [gmx-users] fraction of native contacts calculation

2012-11-01 Thread bipin singh
ong with the native .gro file in VMD and > use Plumed plugin inbuilt in VMD . You need to install plumed most probably > early. > > > > > From: bipin singh > To: Discussion list for GROMACS users > Sent: Thursday, November 1, 2012 1:23 PM

Re: [gmx-users] fraction of native contacts calculation

2012-11-01 Thread bipin singh
Thanks a lot Oliver for the useful information. On Fri, Nov 2, 2012 at 12:26 AM, Oliver Beckstein wrote: > >>> Is there any way to calculate fraction of native contacts during the > >>> simulation in gromacs. I searched the archives but didn't found any > >>> significant clue. > >> > >> At prese

Re: [gmx-users] fraction of native contacts calculation

2012-11-01 Thread Oliver Beckstein
>>> Is there any way to calculate fraction of native contacts during the >>> simulation in gromacs. I searched the archives but didn't found any >>> significant clue. >> >> At present, there is no way to do this. Likely one could modify the >> g_mindist code to do this - it would be a very nice

Re: [gmx-users] fraction of native contacts calculation

2012-11-01 Thread Sanku M
most probably early. From: bipin singh To: Discussion list for GROMACS users Sent: Thursday, November 1, 2012 1:23 PM Subject: Re: [gmx-users] fraction of native contacts calculation Thanks for your response. Hope to see this feature in upcoming GROMACS release

Re: [gmx-users] fraction of native contacts calculation

2012-11-01 Thread bipin singh
Thanks for the information. On Thu, Nov 1, 2012 at 10:56 PM, Justin Lemkul wrote: > > > On 11/1/12 1:23 PM, bipin singh wrote: > >> Thanks for your response. Hope to see this feature in upcoming GROMACS >> release. Before that, could it be possible to get the modified code in the >> user contrib

Re: [gmx-users] fraction of native contacts calculation

2012-11-01 Thread Justin Lemkul
On 11/1/12 1:23 PM, bipin singh wrote: Thanks for your response. Hope to see this feature in upcoming GROMACS release. Before that, could it be possible to get the modified code in the user contribution section, it may be useful for many GROMACS users. If someone writes the code, certainly.

Re: [gmx-users] fraction of native contacts calculation

2012-11-01 Thread bipin singh
Thanks for your response. Hope to see this feature in upcoming GROMACS release. Before that, could it be possible to get the modified code in the user contribution section, it may be useful for many GROMACS users. On Thu, Nov 1, 2012 at 4:39 PM, Erik Marklund wrote: > > 31 okt 2012 kl. 13.43 sk

Re: [gmx-users] fraction of native contacts calculation

2012-11-01 Thread Erik Marklund
31 okt 2012 kl. 13.43 skrev Justin Lemkul: > > > On 10/31/12 6:02 AM, bipin singh wrote: >> Hello all, >> >> Is there any way to calculate fraction of native contacts during the >> simulation in gromacs. I searched the archives but didn't found any >> significant clue. > > At present, there i

Re: [gmx-users] fraction of native contacts calculation

2012-10-31 Thread Justin Lemkul
On 10/31/12 6:02 AM, bipin singh wrote: Hello all, Is there any way to calculate fraction of native contacts during the simulation in gromacs. I searched the archives but didn't found any significant clue. At present, there is no way to do this. Likely one could modify the g_mindist code t

[gmx-users] fraction of native contacts calculation

2012-10-31 Thread bipin singh
Hello all, Is there any way to calculate fraction of native contacts during the simulation in gromacs. I searched the archives but didn't found any significant clue. *-- --- Thanks and Regards, Bipin Singh* -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromac