AMBER Archive (2004)

Subject: Re: AMBER: bug of leap?

From: Ye Mei (ymei_at_itcc.nju.edu.cn)
Date: Wed Apr 07 2004 - 21:40:29 CDT


Dear amber users,

I found that it seems when the sequence of H is over 10, its name will be changed. But the name in top file saved by "saveamberparm" command is correct.

======= 2004-04-08 10:27:11 =======

>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

= = = = = = = = = = = = = = = = = = = =
                        

¡¡¡¡¡¡¡¡¡¡¡¡¡¡
 
Best regards,
                                 
Ye Mei
ymei_at_itcc.nju.edu.cn
2004-04-08

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