Yes, I did. But I tried sander before and a had no problems.
Nubia
________________________________
De: Núbia Prates <nnubiaits.hotmail.com>
Enviado: quarta-feira, 28 de junho de 2017 14:52
Para: AMBER Mailing List
Assunto: Re: [AMBER] sander do not write rst and mdcrd files
Yes, I did. But I tried sander before and a had any problems.
Nubia
________________________________
De: Bill Ross <ross.cgl.ucsf.edu>
Enviado: quarta-feira, 28 de junho de 2017 14:44
Para: amber.ambermd.org
Assunto: Re: [AMBER] sander do not write rst and mdcrd files
Did you read the install instructions about amber.sh or amber.csh?
Bill
On 6/28/17 10:42 AM, Núbia Prates wrote:
> I dont see any error messages. Now that I have write permission it returns:
>
> sander: command not found
>
>
> Nubia
>
>
>
> ________________________________
> De: Bill Ross <ross.cgl.ucsf.edu>
> Enviado: quarta-feira, 28 de junho de 2017 14:27
> Para: amber.ambermd.org
> Assunto: Re: [AMBER] sander do not write rst and mdcrd files
>
> Are you seeing any error messages? Do you have write permission in the
> directory the files are supposed to appear in?
>
> Bill
>
>
> On 6/28/17 10:19 AM, Núbia Prates wrote:
>> Hello,
>>
>>
>> I am using the following command to generate some files during equilibrate step:
>>
>>
>> sander -O -i equi_10.in -p complex.top -c heat.rst -r equi_10.rst -o equi_10.out -x equi_10.mdcrd -ref heat.rst
>>
>>
>> The problem is that sander do not write the "equi_10.rst" and " equi_10.mdcrd" files.
>>
>> Can you help me with that?
>>
>>
>> Regards
>>
>> Nubia
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Received on Wed Jun 28 2017 - 11:30:07 PDT
