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

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Tue, 11 Aug 2015 20:38:37 +0530

 

Sorry for that. Now I have added inp=1, and radiopt=0 in &pb, run has
completed but giving following warning.

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.in>
> wrote:
>
>> 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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Received on Tue Aug 11 2015 - 08:30:03 PDT
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