Re: [gmx-users] Data generated by g_sas

2008-03-06 Thread Tsjerk Wassenaar
Monika, Daniel has already given the answer. The third column gives the standard deviation, whereas the second gives the average SAS. You could've found this answer also by browsing the mailing list archive, as this is one of those questions being posted every once in a while... Cheers, Tsjerk

Re: [gmx-users] Data generated by g_sas

2008-03-06 Thread mon_sharma
Hello All, For reference, the output files are as: # This file was created Thu Jan 31 17:27:21 2008 # by the following command: # g_sas -f pro-total-21ns-300K-PT.xtc -s pro-3ns-300K-PT.tpr -o pro-21ns-300K-g_sas-area.xvg -or pro-21ns-300K-g_sas-resarea.xvg -oa pro-21ns-300K-g_sas-atomarea.xvg -

Re: [gmx-users] Data generated by g_sas

2008-03-05 Thread Mark Abraham
[EMAIL PROTECTED] wrote: Hello All, This might sound a bit stupid question. But I have no idea about it. So here I am asking it. I am using g_sas to calculate the solvent accessible area. But I am not able to understand the values the program is giving out. I am using options -or and -oa to ge

Re: [gmx-users] Data generated by g_sas

2008-03-05 Thread Daniel Larsson
From what I can see in the source the second column is the averaged area from the whole trajectory and the third column is the standard deviation. Correct me anyone if I'm wrong. - Daniel On Mar 5, 2008, at 13:54, [EMAIL PROTECTED] wrote: Hello All, This might sound a bit stupid questio

[gmx-users] Data generated by g_sas

2008-03-05 Thread mon_sharma
Hello All, This might sound a bit stupid question. But I have no idea about it. So here I am asking it. I am using g_sas to calculate the solvent accessible area. But I am not able to understand the values the program is giving out. I am using options -or and -oa to get it plotted per residue a