Re: [gmx-users] make index group

2009-07-01 Thread Justin A. Lemkul
Mark Abraham wrote: Bing Bing wrote: Dear all, I'm trying to perform order parameter analysis. I 've use :- make_ndx_d -f xxx.tpr -o sn1.ndx > 15 & a Cxx |... >q i've got this error :- Group 15 not exist. So use a group that does exist. If you're copying an index group creation reci

Re: [gmx-users] make index group

2009-07-01 Thread Mark Abraham
Bing Bing wrote: Dear all, I'm trying to perform order parameter analysis. I 've use :- make_ndx_d -f xxx.tpr -o sn1.ndx > 15 & a Cxx |... >q i've got this error :- Group 15 not exist. So use a group that does exist. If you're copying an index group creation recipe from some tutorial,

[gmx-users] make index group

2009-07-01 Thread Bing Bing
Dear all, I'm trying to perform order parameter analysis. I 've use :- make_ndx_d -f xxx.tpr -o sn1.ndx > 15 & a Cxx |... >q i've got this error :- Group 15 not exist. I did not make index before I proceed with grompp for the mdrun, is it cause by this? thanks. Regards, bing _