On Wed, Jul 19, 2006, Myunggi Yi wrote:
>
> I'm trying to apply harmonic restraint.
> How can I solve the problem of long line input?
> The following is my input.
>
> ============================
> npt
> &cntrl
> nstlim = 50000, dt=.002,
> irest=1, ntpr=500, ntwx=500, ntx=5,
> temp0=310.0, ntt=1,
> tautp=0.4, taup=0.6, cut=9.0,
> ntb=2, ntp=2, iwrap=1,
> ntc=2, ntf=2,
> ntr=1, restraint_wt=5.0,
> restraintmask='(:1-108 & !.H=) |
> :110,111,114,117,119,120,124,125,128,134,137,138,140,142,148-152,154,155,176,178,180,182,204,213,215.P',
> itgtmd=1,
> tgtrmsmask=':1-108 & !.H=',
> /
Did you try putting the entire "restraintmask" description on a single line?
What was the result? It looks like the entire line would only be about 110
characters or so, and that should be fine. What compiler are you using?
...dac
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Received on Wed Jul 26 2006 - 06:07:08 PDT
