Set ntwxm=0 (coordinates) and ntwvm=0 (velocities)
Giulio Rastelli
Dipartimento di Scienze Farmaceutiche
Universita di Modena e Reggio Emilia
Via Campi 183
41100 Modena - ITALY
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tel 0039-059-2055145
fax 0039-059-2055131
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On Wed, 7 Mar 2001, txyang wrote:
> Dear all,
>
> I am using Sander ( the version is AMBER 6.0) to carry out MD calculation.
> I
> have met a big problem. In the MD input file, I used ntwx = 100, ntwe =
> 100.
> But I have got empty mdcrd and empty mdvel output files. Has someone else
> also met the same problems? Would you mind giving me some suggestions or
> advise? Your responses will be greatly appreciated. Many thanks in advance.
>
> Yours Sincerely,
>
> Tianxiao Yang
> email: txyang_at_lyman.q.t.u-tokyo.ac.jp
> Department of Quantum Engineering and Systems Science
> School of Engineering, The University of Tokyo, Japan
>
>
>
>
Received on Wed Mar 07 2001 - 02:52:16 PST
