[gmx-users] RE: g_angle
hynstova at hotmail.com
Thu Apr 10 09:07:19 CEST 2008
what version are you running? I had the same problem.
After couple of sleepless nights found in archives that there was a bug in version 3.3.2:-)
When I followed the advice given there
This is a known bug, recently introduced, but fixed again in CVS. You can edit the source code of src/tools/gmx_angle.c on line 376 (see below) you have to replace TPX by TPS (as is done already here).read_ang_dih(ftp2fn(efTRX,NFILE,fnm),ftp2fn(efTPS,NFILE,fnm),(mult == 3), bALL || bCorr || bTrans || opt2bSet("-or",NFILE,fnm), bRb,bPBC,maxangstat,angstat, &nframes,&time,isize,index,&trans_frac,&aver_angle,dih);
it worked fine. Or may be consider upgrading direcly to version 3.3.3.
> Dear GMX users,> I want to analyse th ebond angle. I have used> > mk_angndx -s md1.tpr -n angle.ndx> > to prepare an index for g_angle.> > After> g_angle -f md1.xtc -s md1.tpr -n angle.ndx> > I have obtained> > Software inconsistency error:> Not supported in get_stx_coordnum> Most likely this is a trivial question and I did some stupid mistake> but I would be thankful for help. Thank you in advance> Zuzana
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