Re: Fwd: [gmx-users] Compiling MOPAC7/Gromacs3.3 --errors

You can try to use -lg2c when linking. The libmopac.a from the website of http://md.chem.rug.ml/~groenhof/qmmm/html is OK. Have fun! Yuhui Dong On Sun, 5 Mar 2006, David van der Spoel wrote: > YOLANDA SMALL wrote: > > Hi David, > > > > Do you know what may be going wrong in my posting below? >

Re: Fwd: [gmx-users] Compiling MOPAC7/Gromacs3.3 --errors

YOLANDA SMALL wrote: Hi David, Do you know what may be going wrong in my posting below? No, I'm sorry. Why don't you use the pgf77 compiler for mopac? Let's continue on the mailing list please. Thanks, Yolanda -- Forwarded message -- Date: Sun, 05 Mar 2006 11:55:35 -0500 Fr

Re: [gmx-users] Hi all!

Marcelo Fabricio Masman wrote: Hi all!!! I am using the programme grompp (double precision) and the programme genion to make "neutral" .top and .tpr files. But after change the quantity of H2O molecules and add the line with the necessary Na+ ions I am still having WARNING and the charge is S

[gmx-users] Hi all!

Hi all!!! I am using the programme grompp (double precision) and the programme genion to make  "neutral" .top and .tpr files. But after change the quantity of H2O molecules and add the line with the necessary Na+ ions I am still having WARNING and the charge is STILL  negative. What happend? What a

[gmx-users] Compiling MOPAC7/Gromacs3.3 --errors

Hi all, Has anyone experienced problems with the Portland Group Compilers when trying to link Mopac7 to Gromacs 3.3? These are the error messages that I get PGC-W-0114-More than one type specified (/usr/include/unistd.h: 189) PGC-W-0143-Useless typedef declaration (no declarators present) (/