Hi Soumendranath Bhakat
I'm using both molsurf and surf in cpptraj
and working fine
but I've water and ions striped trajectory and prmtop files.
*I use autoimage*
*May be you have some corrrupted snapshot in your trajectories*
*"*WARNING in dispatchToken: Token string "surf" not found in tokenlist"
means
surf is not in ptraj
hope this helps
On Fri, May 23, 2014 at 9:31 AM, Soumendranath Bhakat <
bhakatsoumendranath.gmail.com> wrote:
> Hii All;
>
> During calculation of SASA with CPPTRAJ and PTRAj encountered some error
>
> sasa input
>
> trajin md50.mdcrd
> molsurf R1 :1-560 out sasa.dat
>
> Execution in cpptraj ~/amber12/bin/cpptraj com_solvated.top sasa.ptrj
>
> Error: reroute(): cusp edge mismatch
>
> Execution in PTRAJ input same.
>
> error :
>
> WARNING in dispatchToken: Token string "surf" not found in tokenlist
>
>
> WARNING in dispatchToken: Token string "r1" not found in tokenlist
>
>
> WARNING in dispatchToken: Token string ":1-560" not found in tokenlist
>
>
> WARNING in dispatchToken: Token string "out" not found in tokenlist
>
>
> WARNING in dispatchToken: Token string "sasa.dat" not found in tokenlist
>
> md50.mdcrd contains water and counterions.
>
> Help will be highly appreciated.
>
> Best;
>
> S.B
> --
> Thanks & Regards;
> Soumendranath Bhakat
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Received on Fri May 23 2014 - 08:30:03 PDT
