AMBER Archive (2005)

Subject: Re: AMBER: fail of minimization in sander

From: wendy (chenchengwen_at_gmail.com)
Date: Mon Jun 06 2005 - 05:06:01 CDT


I start sander like this "sander -O -i ***.in -o ***.out -c ***.inpcrd -p
***.prmtop -r ***.rst". I have try to use my ".in" input file to minimize
the DNA structure in tutorial 1 and get normal output file.

By the way, I run sander in remote computer by sending the jobs by remote
logon. And I didn't find out batch output file.

Thank you !

----- Original Message -----
From: "wendy" <chenchengwen_at_gmail.com>
To: <amber_at_scripps.edu>
Sent: Monday, June 06, 2005 12:59 PM
Subject: Re: AMBER: fail of minimization in sander

>I start sander like this "sander -O -i ***.in -o ***.out -c ***.inpcrd -p
>***.prmtop -r ***.rst". I have try to use my ".in" input file to minimize
>the DNA structure in tutorial 1 and get normal output file.
>
> By the way, I run sander in remote computer by sending the jobs by remote
> logon. And I didn't find out batch output file.
>
> Thank you !
>
>
> ----- Original Message -----
> From: "Bill Ross" <ross_at_cgl.ucsf.edu>
> To: <amber_at_scripps.edu>
> Sent: Monday, June 06, 2005 11:50 AM
> Subject: Re: AMBER: fail of minimization in sander
>
>
>>> when I begin minimization with sander, =
>>> the output file contain nothing.
>>
>> How do you start sander? Is there any output to the screen
>> or batch output file or -?
>>
>> Bill
>> -----------------------------------------------------------------------
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