Thanks very much.
Quoting "David A. Case" <case.biomaps.rutgers.edu>:
> On Mon, Dec 15, 2008, chengtao.sjtu.edu.cn wrote:
>
>> How can I get the pressure components (PressureXX, PressureYY,
>> PressureZZ,PressureYX, pressureZX, pressureZY) during the simulation.
>> Any suggestion should be appreciated.
>
> Look at the prntmd() subroutine in dynlib.f [for sander]. There are values
> for presx,presy,presz. As far as I know, off-diagonal terms like pressureYX
> are not calculated.
>
> ...dac
>
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******************************************************
Cheng Tao
School of Chemistry and Chemical Technology
Shanghai Jiao Tong University
800#, Dongchuan Rd. Shanghai, 200240
E-mail: chengtao.sjtu.edu.cn
Tel: 0086-021-54748987 (lab)
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Received on Wed Dec 17 2008 - 01:16:08 PST
