Dear Vinicius
Thanks for the reply. I attach the cpin file, which for a 20 segment chain.
Santo
On Thu, 17 Sep 2020 at 11:06, Cruzeiro,Vinicius Wilian D <vwcruzeiro.ufl.edu>
wrote:
> Hello Santo,
>
> Could you show your CPIN file that is failing?
>
> Thanks,
>
>
> Vinícius Wilian D Cruzeiro
>
> PhD Candidate
> Department of Chemistry, Physical Chemistry Division
> University of Florida, United States
>
> Voice: +1(352)846-1633<tel:+1(352)846-1633>
>
> On Sep 16, 2020, at 8:18 PM, Kolattukudy P. Santo <santotheophys.gmail.com>
> wrote:
>
> [External Email]
>
> Hello all
> I defined and parameterized some new titratable residues in
> explicit solvent for the cpHMD run. They running fine, but some combination
> of them ( into oligomers ) giving me error
> --
> At line 167 of file constantph.F90 (unit = 23, file = 'jbl2.cpin')
> Fortran runtime error: Cannot match namelist object name 0.083403
> --
> If A ,B,C are the residues, then A-B-C gives error, while A-B, B-C etc
> work fine.
> This is a strange error that I could not understand. Please advise, how to
> resolve this.
>
> Thanks a lot
> Santo
>
>
>
> --
> Best,
> KP Santo
> --------------------------------------------------------------
> Dr. Kolattukudy P. Santo
> Post doctoral Associate
> Department of Chemical and Biochemical Engineering
> Rutgers, The State University of New Jersey
> New Brunswick, New jersey
> USA
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--
Best,
KP Santo
--------------------------------------------------------------
Dr. Kolattukudy P. Santo
Post doctoral Associate
Department of Chemical and Biochemical Engineering
Rutgers, The State University of New Jersey
New Brunswick, New jersey
USA
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- application/octet-stream attachment: jbl2.cpin
Received on Thu Sep 17 2020 - 11:00:02 PDT
