AMBER Archive (2004)

Subject: Re: AMBER: fix two groups

From: Helios Chen (p9890101_at_mail.ncku.edu.tw)
Date: Sun Mar 28 2004 - 22:54:58 CST

I only want to fix every atoms in these two groups (i.e. the relative atoms position no change within these two group), but the relative position for these two groups were changed by running MD program. Thanks in advance.

----- Original Message -----
  From: Carlos Simmerling
  To: amber_at_scripps.edu
  Sent: Monday, March 29, 2004 11:16 AM
  Subject: Re: AMBER: fix two groups

  can you be more specific? do you want sander to modify the relative orientation of
  the groups, or just calculate the values? do you want to change their distance, angle,
  rmsd, etc? please let us know what you want to do and we might be able to help more.
  carlos
    ----- Original Message -----
    From: Helios Chen
    To: amber_at_scripps.edu
    Sent: Sunday, March 28, 2004 10:07 PM
    Subject: AMBER: fix two groups

    Dear amber users, I want to fix two segments on the one protein, and calculate the relative changes each other by sander MD program. Are there any restriction I can fix these two groups?

    Best Regards.

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