AMBER Archive (2008)

Subject: Re: AMBER: PTRAJ - Segmentation Fault

From: dpandit_at_brandeis.edu
Date: Wed Jun 11 2008 - 14:40:25 CDT

Thank you, it fixed it.

Deepa
Quoting Thomas Cheatham <tec3_at_utah.edu>:

>
>> 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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