Re: mail reg compilation of mdenergy

From: Vidhya Sankar (
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


MDENERGY> psf file                : ionizedeeee.psf
MDENERGY> param file              : par_all36_lipid.prm
MDENERGY> param type              : CHARMM
MDENERGY> hbfile     : hbfile

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


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

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


On Wed, Oct 19, 2016 at 3:11 PM, David Hardy <> 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
> On Oct 19, 2016, at 12:08 PM, Vidhya Sankar
> <> 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
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

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