Re: [AMBER] sander do not write rst and mdcrd files

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Wed, 28 Jun 2017 10:44:27 -0700

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
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
> AMBER -- AMBER Mailing List<http://lists.ambermd.org/mailman/listinfo/amber>
> lists.ambermd.org
> AMBER -- AMBER Mailing List About AMBER: This is the AMBER Mailing List. It is designed to provide a forum for users of the AMBER Molecular Dynamics and related ...
>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
> AMBER -- AMBER Mailing List<http://lists.ambermd.org/mailman/listinfo/amber>
> lists.ambermd.org
> AMBER -- AMBER Mailing List About AMBER: This is the AMBER Mailing List. It is designed to provide a forum for users of the AMBER Molecular Dynamics and related ...
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 28 2017 - 11:00:04 PDT
Custom Search