Dear Sir/Madam,
Thank you very much for your help!
I try to do the tutorial section 3.3.2) Calculating the RMSd vs. time.
However, when I tryped the commands, the following error messages appeared,
I can find the ptraji file in the exe directory, but not trajin and rms.
[PATH]$ trajin polyAT_vac_md1_12Acut.mdcrd
bash: trajin: command not found
[PATH$ rms first mass out polyAT_vac_md1_12Acut.rms time 0.1
bash: rms: command not found
[PATH]$ ptraj polyAT_vac.prmtop < polyAT_vac_md1_12Acut.calc_rms
bash: polyAT_vac_md1_12Acut.calc_rms: No such file or directory
Could you mind to teach me what should I do to solve this problem?
Best regards,
Annie
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Received on Wed May 24 2006 - 06:07:06 PDT
