Mr. Carlos
thank you very much
sanjib
On 8/28/12, Sanjib Paul <sanjib88paul.gmail.com> wrote:
> Dear Amber User,
> Sorry I have forgot to inform my cut of
> distance present in mdin file. It is 15.0
> sanjib
>
> On 8/28/12, Sanjib Paul <sanjib88paul.gmail.com> wrote:
>> Dear Amber Users,
>> I have a trajectory file (.mdcrd) of 1 ns.
>> I want to minimize all the structure present in trajectory file using
>> imin = 5 in AMBER 9. I give command like following:
>> $AMBERHOME/exe/sander -O -i mdin -o mdout -p prmtop -y inptraj -x mdcrd &
>> But sander is not running and the error coming to output file is like
>> following:
>> getting new box info from bottom of inpcrd
>>
>> Unit 30 Error on open : inpcrd
>> My mdin file is:
>> minimization
>> &cntrl
>> imin = 5,
>> ntb = 1,
>> ntr = 0,
>> maxcyc = 10000,
>> ncyc = 5000
>> /
>> I don't have any file named inpcrd.
>> So, what can I do? Please help..
>>
>> sanjib
>>
>
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Received on Tue Aug 28 2012 - 11:00:04 PDT
