Re: [AMBER] PB Bomb in pb_aaradi(): No radius assigned for atom

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Tue, 11 Aug 2015 21:43:30 +0530

 

Thank you so much for the instantaneous help and clarification.

On 2015-08-11 9:14 pm, Jason Swails wrote:

> On Tue, Aug 11, 2015 at 11:08 AM, Sangita Kachhap <sangita.imtech.res.in>
> wrote:
>
>> Sorry for that. Now I have added inp=1, and radiopt=0 in &pb, run has completed but giving following warning.
>
> ​These are informational -- it's simply telling you that the inp=2 defaults
> for the surface tension was changed to the default appropriate for the
> inp=1 model.
>
> HTH,
> Jason
> ​
> Warning: inp=1 was old default Warning: cavity_surften=0.0378 not recommended for inp=1, switching to inp=1 default value: 0.0050 Warning: cavity_offset=-0.5692 not recommended for inp=1, switching to inp=1 default value: 0.000 Warning: sprob=.557 not recommended for inp=1, switching to inp=1 default value: 1.400 Warning: inp=1 was old default Warning: cavity_surften=0.0378 not recommended for inp=1, switching to inp=1 default value: 0.0050 Warning: cavity_offset=-0.5692 not recommended for inp=1, switching to inp=1 default value: 0.000 Warning: sprob=.557 not recommended for inp=1, switching to inp=1 default value: 1.400 Warning: inp=1 was old default Warning: cavity_surften=0.0378 not recommended for inp=1, switching to inp=1 default value: 0.0050 Warning: cavity_offset=-0.5692 not recommended for inp=1, switching to inp=1 default value: 0.000 Warning: sprob=.557 not recommended for inp=1, switching to inp=1 default value: 1.400 On 2015-08-11 8:13 pm, Jason Swails wrote: On Tue,
Aug 11, 2015 at 10:15 AM, Sangita Kachhap <sangita.imtech.res.inwrote: I have added inp=1, and radiopt=0 in &gb but it is giving following
 error.

> ​I said &pb, not &gb. HTH, Jason ​
 -- ---------------------------------------------- Sangita Kachhap
Senior Research Fellow C/O Dr. Balvinder Singh Bioinformatics centre
CSIR-Institute of Microbial Technology Chandigarh, Sector-39A, INDIA
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-- 
----------------------------------------------
Sangita Kachhap
Senior Research Fellow
C/O Dr. Balvinder Singh
Bioinformatics centre
CSIR-Institute of Microbial Technology
Chandigarh, Sector-39A, INDIA
----------------------------------------------
 
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Received on Tue Aug 11 2015 - 09:30:03 PDT
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