AMBER Archive (2009)

Subject: Re: [AMBER] PTRAJ, rms for separated residues.

• Previous message: Catein Catherine: "[AMBER] correlation motion at production simulation period still changing. Is it normal?"
• In reply to: Catein Catherine: "[AMBER] PTRAJ, rms for separated residues."
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Catherine

You have to put : befor the residue number.

rms first out rms :100-200_at_CA, :400-500_at_N1'

germain

Catein Catherine a écrit :
> Dear Sir/Madam,
>
>
>
> I could like to do use ptraj to study the rmsd of a MD simulation but include only residues 100-200 and 400-500 of a system with 600 residues.
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> I used the command line as follows:
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> rms first out rms 100-200_at_CA, 400-500_at_N1'
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> However, the error message about not recognized appears. Could you pls kindly instruct what command line should be used?
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> Best regards,
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> Cat
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-- 
Germain Vallverdu
Doctorant
Laboratoire de Chimie Physique
germain.vallverdu_at_lcp.u-psud.fr
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• Previous message: Catein Catherine: "[AMBER] correlation motion at production simulation period still changing. Is it normal?"
• In reply to: Catein Catherine: "[AMBER] PTRAJ, rms for separated residues."
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]