[gmx-users] Regarding g_wham options

2012-05-30 Thread Nitin Agrawal
Hi all, I want to set the lowest point in my curve as zero instead of negative number. Can anyone tell me which option to use to do that? -- Regards, Nitin Agrawal, Master's Student (Bioinformatics) University of Turku,Finland B.Tech (Biotechnology) National Institute of Technology,Durgapur

Re: [gmx-users] Regarding g_wham options

2012-05-30 Thread Nitin Agrawal
Thank you On Wed, May 30, 2012 at 1:39 PM, Justin A. Lemkul jalem...@vt.edu wrote: On 5/30/12 6:29 AM, Nitin Agrawal wrote: Hi all, I want to set the lowest point in my curve as zero instead of negative number. Can anyone tell me which option to use to do that? Set the desired value

Re: [gmx-users] Regarding g_wham options

2012-05-30 Thread Nitin Agrawal
using the parameters wrong? On Wed, May 30, 2012 at 1:42 PM, Nitin Agrawal nitinyugalagra...@gmail.comwrote: Thank you On Wed, May 30, 2012 at 1:39 PM, Justin A. Lemkul jalem...@vt.edu wrote: On 5/30/12 6:29 AM, Nitin Agrawal wrote: Hi all, I want to set the lowest point in my curve

Re: [gmx-users] Regarding g_wham options

2012-05-30 Thread Nitin Agrawal
How can I define the value at y axis then? Is there any way to bring the y-axis value down to 0? On Wed, May 30, 2012 at 3:24 PM, Justin A. Lemkul jalem...@vt.edu wrote: On 5/30/12 8:18 AM, Nitin Agrawal wrote: When I am using the command -zprof0. it is not giving the desired result. I am

Re: [gmx-users] Regarding g_wham options

2012-05-30 Thread Nitin Agrawal
Ok, Thank you once again. On Wed, May 30, 2012 at 4:20 PM, Justin A. Lemkul jalem...@vt.edu wrote: On 5/30/12 9:17 AM, Nitin Agrawal wrote: I got this by using the command : g_wham -b 5000 -zprof0 -2.0 -it tpr_files.dat -if pullf_files.dat -o profile_new1.xvg -hist histo_new1.xvg -unit

[gmx-users] editconf and g_editconf confusion

2012-05-11 Thread Nitin Agrawal
Hi, Can anyone please tell me what is the difference between the commands editconf and g_editconf? If there is no difference then why do some systems recognize g_editconf but not editconf? -- Regards, Nitin Agrawal, Master's Student (Bioinformatics) University of Turku,Finland B.Tech

Re: [gmx-users] editconf and g_editconf confusion

2012-05-11 Thread Nitin Agrawal
Thank you for your clarification. On Sat, May 12, 2012 at 2:51 AM, Justin A. Lemkul jalem...@vt.edu wrote: On 5/11/12 7:40 PM, Nitin Agrawal wrote: Hi, Can anyone please tell me what is the difference between the commands editconf and g_editconf? If there is no difference then why do

[gmx-users] Regarding orientation restraints

2011-08-16 Thread Nitin Agrawal
Hi, I want to apply orientation restraints for my helix but am not ble to understand how to. Please help me. Also how can I generate the itp file for orientation restraints? -- Regards, Nitin Agrawal, Master's Student (Bioinformatics) University of Turku,Finland B.Tech (Biotechnology) National

Re: [gmx-users] Regarding orientation restraints

2011-08-16 Thread Nitin Agrawal
Ok, Thanks. I will go through it and post if their is any trouble. On Tue, Aug 16, 2011 at 3:23 PM, Justin A. Lemkul jalem...@vt.edu wrote: Nitin Agrawal wrote: Hi, I want to apply orientation restraints for my helix but am not ble to understand how to. Please help me. Also how can I