[AMBER] the rms command

From: 百毒不侵√ via AMBER <amber.ambermd.org>
Date: Wed, 10 Apr 2024 21:32:24 +0800

Hi:


&nbsp; I now have 500 frames of top and crd files, and I'm using rms command to align these frames. However, it seems to be invalid to&nbsp;use of the rms command.&nbsp; what should I do to solve this problem? The following are my scripts.


parm pro.top
trajin pro.crd 1 500
rms first .CA,C,N,O
trajout pro.pdb multi


Thank you so much for your help
I now have 500 frames of top and crd files, now using rms command for internal alignment, but can not output the aligned pdb, what should I do

百毒不侵√
3121063212.qq.com



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Received on Wed Apr 10 2024 - 07:00:02 PDT