Re: [gmx-users] change in secondary structure after npt equilibration

2011-01-28 Thread Justin A. Lemkul
/mailto:jalem...@vt.edu> <mailto:jalem...@vt.edu <mailto:jalem...@vt.edu>>>/* wrote: From: Justin A. Lemkul mailto:jalem...@vt.edu> <mailto:jalem...@vt.edu <mailto:jalem...@vt.edu>>> Subject: Re:

Re: [gmx-users] change in secondary structure after npt equilibration

2011-01-28 Thread bharat gupta
-- Sonali Dhindwal >> >> “Live as if you were to die tomorrow. Learn as if you were to >>live forever.” >> >> >>--- On *Fri, 28/1/11, Justin A. Lemkul /><mailto:jalem...@vt.edu>>/* wrote: >> >> >>

Re: [gmx-users] change in secondary structure after npt equilibration

2011-01-28 Thread Justin A. Lemkul
Subject: Re: [gmx-users] change in secondary structure after npt equilibration To: "Discussion list for GROMACS users" mailto:gmx-users@gromacs.org>> Date: Friday, 28 January, 2011, 5:53 PM bharat gupta wrote:

Re: [gmx-users] change in secondary structure after npt equilibration

2011-01-28 Thread bharat gupta
gt; > -Justin > > Thanks and Regards >> >> -- >> Sonali Dhindwal >> >> “Live as if you were to die tomorrow. Learn as if you were to live >> forever.” >> >> >> --- On *Fri, 28/1/11, Justin A. Lemkul //* wrote: >> >> >>From:

Re: [gmx-users] change in secondary structure after npt equilibration

2011-01-28 Thread Justin A. Lemkul
live forever.” --- On *Fri, 28/1/11, Justin A. Lemkul //* wrote: From: Justin A. Lemkul Subject: Re: [gmx-users] change in secondary structure after npt equilibration To: "Discussion list for GROMACS users" Date: Friday, 28 January, 2011, 5:53 PM bha

Re: [gmx-users] change in secondary structure after npt equilibration

2011-01-28 Thread sonali dhindwal
, 28/1/11, Justin A. Lemkul wrote: From: Justin A. Lemkul Subject: Re: [gmx-users] change in secondary structure after npt equilibration To: "Discussion list for GROMACS users" Date: Friday, 28 January, 2011, 5:53 PM bharat gupta wrote: > Hi, > > > I am doing a sim

Re: [gmx-users] change in secondary structure after npt equilibration

2011-01-28 Thread Justin A. Lemkul
bharat gupta wrote: Hi, I am doing a simulation of a 230 amino acid protein for 3ns ... and I have completed the npt equilibration step .. After retrieving the structure from npt step and viewing it in pymol, reveals that some portion of the beta strand got changed to a loop but when I vis

[gmx-users] change in secondary structure after npt equilibration

2011-01-28 Thread bharat gupta
Hi, I am doing a simulation of a 230 amino acid protein for 3ns ... and I have completed the npt equilibration step .. After retrieving the structure from npt step and viewing it in pymol, reveals that some portion of the beta strand got changed to a loop but when I visualized the same structure