Re: mail reg compilation of mdenergy

From: Vidhya Sankar (vidhyasankar7928_at_yahoo.com)
Date: Tue Oct 25 2016 - 20:20:07 CDT

Dear developers
                     I have successfully compiled and i want to analyze hbond .
When i use the following command i got error as follows

./mdenergy.Linux  -pdb ionizedeeee.pdb    -par  par_all36_prot.prm    -psf ionizedeeee.psf   -hbond

error

MDENERGY> psf file                : ionizedeeee.psf
MDENERGY> param file              : par_all36_lipid.prm
MDENERGY> param type              : CHARMM
MDENERGY> hbfile     : hbfile
UNKNOWN PARAMETER IN CHARMM PARAMETER FILE par_all36_prot.prm
LINE=*ATOMS*

i am using the namd format
should i change parameter file into charmm or xplor style
If yes how to change the namd format to charmm for explor style

with regards
S.vidhyasankar
 

   

 On Thursday, 20 October 2016 12:58 AM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
 

 more likely the code in Vector.h needs to be updated to be compliant
with C++98 and beyond, which has only iostream.

axel.

On Wed, Oct 19, 2016 at 3:11 PM, David Hardy <dhardy_at_ks.uiuc.edu> wrote:
> The header file iostream.h should be part of the C++ standard library.  I
> would suggest that you start by examining the compilation instruction in the
> makefile to verify that you are invoking your intended C++ (rather than C)
> compiler with reasonable flags.
>
> Dave
>
> --
> David J. Hardy, Ph.D.
> Theoretical and Computational Biophysics
> Beckman Institute, University of Illinois
> dhardy_at_ks.uiuc.edu
> http://www.ks.uiuc.edu/~dhardy/
>
>
> On Oct 19, 2016, at 12:08 PM, Vidhya Sankar
> <vidhyasankar7928_at_REMOVE_yahoo.com> wrote:
>
> Dear Author
>                When i compile mdenergy terms using the following command
> make linux
> i got the following error
>
> Vector.h:4:22: fatal error: iostream.h: No such file or directory
> compilation terminated.
> make[1]: *** [ComputeBonded.o] Error 1
> make[1]: Leaving directory `/root/Desktop/mdenergy/src'
> make: *** [linux] Error 2
>
> I do not have any isostream.h file in unzipped directory
>
> Pleas help me to solve the problem
>
> with high regards
> S.Vidhyasankar
>
>

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.
   

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