Thans for reply
> On Fri, Mar 11, 2011, Sangita Kachhap wrote:
>>
>> I want to know about how to run Path Integral Molecular Dynamics Simulation.
>> When I checked amber11/test/PIMD/full_pimd_ntp_water
>> as suggested in manual there is a file: gf_pimd_ntp
>>
>> -O -i pimd_ntp.in -p spcfw.top -c spcfw.rst.1 -o bead1.out -r bead1.rst -x
>> bead1.mdcrd -inf bead1.mdinfo -pimdout pimd_ntp.out
>> -O -i pimd_ntp.in -p spcfw.top -c spcfw.rst.2 -o bead2.out -r bead2.rst -x
>> bead2.mdcrd -inf bead2.mdinfo -pimdout pimd_ntp.out
>> -O -i pimd_ntp.in -p spcfw.top -c spcfw.rst.3 -o bead3.out -r bead3.rst -x
>> bead3.mdcrd -inf bead3.mdinfo -pimdout pimd_ntp.out
>> -O -i pimd_ntp.in -p spcfw.top -c spcfw.rst.4 -o bead4.out -r bead4.rst -x
>> bead4.mdcrd -inf bead4.mdinfo -pimdout pimd_ntp.out
>>
>> I want to know how this file will be generate?
>
> You create the groupfile with a text editor.
>
> ...regards...dac
>
>
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Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH
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Received on Fri Mar 11 2011 - 11:30:03 PST
