AMBER Archive (2008)

Subject: Re: AMBER: PTRAJ - Segmentation Fault

From: Thomas Cheatham (tec3_at_utah.edu)
Date: Wed Jun 11 2008 - 13:15:00 CDT

> Thank you for your suggestion but even after making the change I still got the
> segmentation fault. Based on AMBER archive messages I also removed radial
> calculation but still the same problem. Here is the edited file.
...
> trajin eq_pro_hGH.mdcrd
> rms first out eq_pro_hGH_rms_bef.out @CA,C,N
> center : 1-190
         ^^^
  center :1-190 mass origin

> image origin center familiar
> trajout eq_pro_hGH_reimage.mdcrd
> rms first out eq_pro_hGH_rms.out @CA,C,N
> strip :WAT
> strip :Na+
> average avg.pdb pdb
> atomicfluct out out bfactor_eq_pro_bfactor.dat byatom bfactor
> trajout eq_pro_hGH_reima_strip.mdcrd nobox

--tec3

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