[gmx-users] local pressure calcuation for Gromacs-4.5

Hi All, I found there is a customised version "gromacs-4.0.2_localpressure" for calculating the local pressure from the Gromacs website. I am wondering is there a higher version? The reason is that I am using CHARMM FF and have done membrane simulations using Gromacs-4.5. If I understand cor

[gmx-users] local pressure calcuation for Gromacs-4.5

Dear all, I saw an unanswered post at http://lists.gromacs.org/pipermail/gmx-users/2011-January/058063.html It is about calculating local pressure in v 4.5 when using CHARMM FF. Could someone give me some pointers about this? Thank you Amit -- gmx-users mailing listgmx-users@gromacs.org ht

Re: [gmx-users] local pressure calcuation for Gromacs-4.5

Amit Choubey wrote: Dear all, I saw an unanswered post at http://lists.gromacs.org/pipermail/gmx-users/2011-January/058063.html It is about calculating local pressure in v 4.5 when using CHARMM FF. Could someone give me some pointers about this? I don't know what the development statu

Re: [gmx-users] local pressure calcuation for Gromacs-4.5

Thanks Justin, I tried to install the recent git version but the configure file is missing. How should I install this version ? On Thu, Jun 9, 2011 at 12:45 PM, Justin A. Lemkul wrote: > > > Amit Choubey wrote: > >> Dear all, >> >> I saw an unanswered post at >> http://lists.gromacs.org/piperma

Re: [gmx-users] local pressure calcuation for Gromacs-4.5

Amit Choubey wrote: Thanks Justin, I tried to install the recent git version but the configure file is missing. How should I install this version ? Run the bootstrap script. It generates the configure script. -Justin On Thu, Jun 9, 2011 at 12:45 PM, Justin A. Lemkul

Re: [gmx-users] local pressure calcuation for Gromacs-4.5

GROMACS users Sent: Friday, 10 June 2011 07:10:35 Subject: Re: [gmx-users] local pressure calcuation for Gromacs-4.5 Amit Choubey wrote: > Thanks Justin, I tried to install the recent git version but the configure > file >is missing. How should I install this version ? > Run t

Re: [gmx-users] local pressure calcuation for Gromacs-4.5

y, 10 June 2011 07:10:35 *Subject:* Re: [gmx-users] local pressure calcuation for Gromacs-4.5 Amit Choubey wrote: > Thanks Justin, I tried to install the recent git version but the configure file is missing. How should I install this version ? > Run the bootstrap script. It generat

Re: [gmx-users] local pressure calcuation for Gromacs-4.5

119800.000 > ... > > Cheers, > Jianguo > > > > -------------- > *From:* Justin A. Lemkul > *To:* Discussion list for GROMACS users > > *Sent:* Friday, 10 June 2011 07:10:35 > *Subject:* Re: [gmx-users] local pressure calcuation for Gromac

Re: [gmx-users] local pressure calcuation for Gromacs-4.5

;mailto:jalem...@vt.edu> *To:* Discussion list for GROMACS users <mailto:gmx-users@gromacs.org> *Sent:* Friday, 10 June 2011 07:10:35 *Subject:* Re: [gmx-users] local pressure calcuation for Gromacs-4.5 Amit Choubey wrote: > Thanks Justin, I tried to install