Hello,
I am still having problems loading topology files of small
molecules in ptraj (amber7), even after i changed rdparm.c and recompiled
the package.
When Im running ptraj on methane, for example, I get the following message
ERROR in readParm: ...failed to find ANGLES_INC_HYDROGEN
when i try to load the topology file.
any idea will be appreciated.
By the way: Is anything missing in the patch (bugfix3), since there is a +
on an empty line
-----------------------------------------------------------
*** rdparm.c 2001/10/02 21:44:46 1.12
--- rdparm.c 2002/03/12 07:28:58 1.13
***************
*** 1647,1654 ****
--- 1647,1656 ----
} /* END of: if ( parm->IFPERT ) */
if (parm->JPARM == 1) {
+
fprintf(stderr, "Reading in LES information...\n");
+ if( newparm ) find_flag( parm->fp, "LES_NTYP" );
parm->nlestyp = loadAndReturn12I6(parm->fp, 1, "LES, nlestyp");
loadAndReturn12I6(parm->fp, 0, "");
---------------------------------------------------
Thanks,
Dvira
_________________________________________________________________
-----------------------------------------------------------------
Dvira Segal
School of Chemistry, Tel Aviv University
Tel Aviv, 69978 ISRAEL
Phone: 972-3-640 7634 Fax: 972-3-642 3765
email: dvira_at_post.tau.ac.il
http://femto.tau.ac.il/~dvira
__________________________________________________________________
------------------------------------------------------------------
Received on Tue Feb 04 2003 - 06:18:11 PST
