From 9757d4c5fab297a3f6a7e23f0919101a3e88ef98 Mon Sep 17 00:00:00 2001
From: Per Larsson <per@Per-Larssons-MacBook-Pro.local>
Date: Mon, 26 Jul 2010 11:00:30 +0200
Subject: [PATCH] Changes to allow more than one whitespace in the cmap.itp
 file for charmm Also changes to allow arbitratry grid spacing for custom
 topologies

---
 src/gmxlib/bondfree.c | 4 ++--
 src/kernel/toppush.c  | 8 ++++++--
 2 files changed, 8 insertions(+), 4 deletions(-)

diff --git a/src/gmxlib/bondfree.c b/src/gmxlib/bondfree.c
index 22359be0a3..059a308778 100644
--- a/src/gmxlib/bondfree.c
+++ b/src/gmxlib/bondfree.c
@@ -1841,9 +1841,9 @@ real cmap_dihs(int nbonds,
 		ty12[3]   = cmapd[pos4*4+3];
 		
 		/* Switch to degrees */
-		dx = 15;
+		dx = 360.0 / cmap_grid->grid_spacing;
 		xphi1 = xphi1 * RAD2DEG;
-		xphi2 = xphi2 * RAD2DEG; /* HERE */
+		xphi2 = xphi2 * RAD2DEG; 
 		
 		for(i=0;i<4;i++) /* 16 */
 		{
diff --git a/src/kernel/toppush.c b/src/kernel/toppush.c
index 859e2a42f4..0939c5488d 100644
--- a/src/kernel/toppush.c
+++ b/src/kernel/toppush.c
@@ -967,8 +967,12 @@ push_cmaptype(directive d, t_params bt[], int nral, gpp_atomtype_t at,
 	sl = 0;
 	for(i=0;i<ncmap;i++)
 	{
-		nn=sscanf(line+start+sl,"%s",s);
-		sl+=strlen(s)+1;
+    while(isspace(*(line+start+sl))) 
+    { 
+      sl++; 
+    }
+    nn=sscanf(line+start+sl," %s ",s);
+    sl+=strlen(s);
 		bt->cmap[i+(bt->ncmap)-nrfp]=strtod(s,NULL);
 		
 		if(nn==1)
-- 
2.11.4.GIT