AMBER Archive (2005)

Subject: RE: AMBER: Problem finding transition state using NMODE

From: Zhang Bing (nnizb_at_nus.edu.sg)
Date: Thu Sep 22 2005 - 10:27:45 CDT

Dear all:

 

Now, I have a totally same problem with what amit had reported. The only
different between our error messages is : Missing BELE for MM in 1
(residue 1)

 

 

Any help from you will be greatly appreciated!

 

Zhang Bing

 

NUSNNI

 

 

 

Hi Dac,

       Finally I got the energy using the flag gbsa=0. But the program
is stopped when getting to statistical part. The error I got

 

 Reading files

    Reading 1pfy_com.all.out

    Reading 1pfy_rec.all.out

    Checking CALC

    Reading 1pfy_lig.all.out

    Missing SINT for MM in 1 (residue 1) Please help.

Any hint.

 

Sincerely,

amit

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