AMBER Archive (2004)

Subject: AMBER: bug of leap?

From: Ye Mei (ymei_at_itcc.nju.edu.cn)
Date: Wed Apr 07 2004 - 21:27:11 CDT

Dear amber users£¬

I found that leap renames the atoms in pdb file, even though they have the same name with those in prepi file.
Attached are files in my test. DPC083.prepi is the prepi file, 1_1.pdb is the original pdb file and 1_1_2.pdb is the output. Leap command is in leapin. The names of the last two atoms have been changed.
Could anyone solve this problem?

¡¡¡¡¡¡¡¡¡¡¡¡
                                 
Best regards,

Ye Mei
ymei_at_itcc.nju.edu.cn
2004-04-08

  • application/octet-stream attachment: leapin

  • application/octet-stream attachment: 1_1.pdb

  • application/octet-stream attachment: 1_1_2.pdb


  • application/octet-stream attachment: frcmod

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