Bill,
Yes I was, then I figure that I have to set AMBERHOME environment variable always a new terminal is open. Besides, with the write permissions I can see the files generated by sander.
Thank you!!!
Núbia
________________________________
De: Bill Ross <ross.cgl.ucsf.edu>
Enviado: quarta-feira, 28 de junho de 2017 14:55
Para: amber.ambermd.org
Assunto: Re: [AMBER] sander do not write rst and mdcrd files
Are you running any differently? Perhaps you need to source amber.sh in
your run script?
If this doesn't help, please copy/paste all commands you are using (and
script contents if any).
Bill
On 6/28/17 10:52 AM, Núbia Prates wrote:
> 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
>>> _______________________________________________
>>> AMBER mailing list
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Received on Wed Jun 28 2017 - 11:30:04 PDT
