Re: [gmx-users] g_hbond (Version 3.3 vs Version 3.14)

2007-12-20 Thread David van der Spoel
Anil Kumar wrote: Dear David, Thanks for your concern. i am using g_hbond (After vacuum md, just for one step) Command with options is g_hbond -f *.pdb -s *.tpr -num *_num.xvg -hx *_hbhelix.xvg and when i compare the result of v 3.3.1 and v 3.14, i found there is difference in *_hbhelix.xvg.

[gmx-users] g_hbond (Version 3.3 vs Version 3.14)

2007-12-20 Thread Anil Kumar
Dear David, Thanks for your concern. i am using g_hbond (After vacuum md, just for one step) Command with options is g_hbond -f *.pdb -s *.tpr -num *_num.xvg -hx *_hbhelix.xvg and when i compare the result of v 3.3.1 and v 3.14, i found there is difference in *_hbhelix.xvg. Even for standard

Re: [gmx-users] g_hbond (Version 3.3 vs Version 3.14)

2007-12-19 Thread David van der Spoel
Anil Kumar wrote: Dear All, I found there is some problem with version 3.3 to g_hbond command. Earlier i was using version 3.14, and when i was using g_hbond(v3.14) i found correct distribution of hydrogen bond pattern (i.e., n-n+1,n-n+2, n-n+3 so on). But when i use g_hbond (v3.3) then i found

[gmx-users] g_hbond (Version 3.3 vs Version 3.14)

2007-12-19 Thread Anil Kumar
Dear All, I found there is some problem with version 3.3 to g_hbond command. Earlier i was using version 3.14, and when i was using g_hbond(v3.14) i found correct distribution of hydrogen bond pattern (i.e., n-n+1,n-n+2, n-n+3 so on). But when i use g_hbond (v3.3) then i found it only gives hydro

[gmx-users] g_hbond (Version 3.3 vs Version 3.14)

2007-12-19 Thread Anil Kumar
Dear All, I found there is some problem with version 3.3 to g_hbond command. Earlier i was using version 3.14, and when i was using g_hbond(v3.14) i found correct distribution of hydrogen bond pattern (i.e., n-n+1,n-n+2, n-n+3 so on). But when i use g_hbond (v3.3) then i found it only gives hydro