VMD-L Mailing List

From: cong chen (vmd_chcwaaa_at_yahoo.com.cn)
Date: Mon May 05 2008 - 00:08:53 CDT

Dear all,
      I want to save the coordinates of current frame into a pdb file and I did it successfully using the command "Save Coordinates..." under the menu "File".
  However, I found that the molecule type name has been changed. The following is a single line of the pdb file:
  ATOM 1 OH2 SPCEO 1 20.111 5.826 32.502 1.00 0.00 O1
  The molecule type name part is "SPCEO" . But in the psf file, the type name of the same molecule is "SPCE". I wonder why the vmd adds a character "O" ? For molecule number larger than 1000, the molecule type name part and the molecule number part will join together like this:
  ATOM 5341 OH2 SPCEO1781 19.493 2.835 31.522 1.00 0.00 O1
  I want to know how to tell VMD NOT to change the molecule type name.
  Any suggestions would be most appreciative.
  Thank you.

       
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