Re: [gmx-users] g_order in Gromacs 3.3.1

2006-06-05 Thread Arneh Babakhani
FYI, the bug in g_order has been resolved, see: http://bugzilla.gromacs.org/show_bug.cgi?id=84 for details. Sukit Leekumjorn wrote: Dear GMX users, I have encounter some problem with g_order in Gromacs3.3.1. I noticed that tetrahedral order parameter has been added to the new version and for

Re: [gmx-users] g_order in Gromacs 3.3.1

2006-05-31 Thread Arneh Babakhani
As have I. Very well, I have submitted a bugzilla (#84), Arneh Sukit Leekumjorn wrote: Concerning the problem with g_order in Gromacs 3.3.1. I did try fixing the problem as suggested, however, I could not get it to work. In the mean time, I just use g_order from 3.3 version. Sukit Arneh B

Re: [gmx-users] g_order in Gromacs 3.3.1

2006-05-31 Thread Sukit Leekumjorn
Concerning the problem with g_order in Gromacs 3.3.1. I did try fixing the problem as suggested, however, I could not get it to work. In the mean time, I just use g_order from 3.3 version. Sukit Arneh Babakhani wrote: Prof. Van Der Spoel, Regarding your suggestion here: Where exactly are

Re: [gmx-users] g_order in Gromacs 3.3.1

2006-05-29 Thread Mark Abraham
Arneh Babakhani wrote: Prof. Van Der Spoel, Regarding your suggestion here: Where exactly are lines 579 and 580 that one must modify? (I'm having this same error) In the gromacs source tree, file src/tools/gmx_order.c This file contains the body of code for which g_order.c is a stub. Mar

Re: [gmx-users] g_order in Gromacs 3.3.1

2006-05-29 Thread Arneh Babakhani
Prof. Van Der Spoel, Regarding your suggestion here: Where exactly are lines 579 and 580 that one must modify? (I'm having this same error) Thanks, Arneh David van der Spoel wrote: Sukit Leekumjorn wrote: Dear GMX users, I have encounter some problem with g_order in Gromacs3.3.1. I no

Re: [gmx-users] g_order in Gromacs 3.3.1

2006-05-08 Thread David van der Spoel
Sukit Leekumjorn wrote: Dear GMX users, I have encounter some problem with g_order in Gromacs3.3.1. I noticed that tetrahedral order parameter has been added to the new version and for some reason, the program seems to call for calc_tetra_order_parm loop rather than calculate regular tail or

[gmx-users] g_order in Gromacs 3.3.1

2006-05-08 Thread Sukit Leekumjorn
Dear GMX users, I have encounter some problem with g_order in Gromacs3.3.1. I noticed that tetrahedral order parameter has been added to the new version and for some reason, the program seems to call for calc_tetra_order_parm loop rather than calculate regular tail order parameter. For Grom