wham in lipid still diff

[unres.git] / source / wham / src-M / store_parm.F

diff --git a/source/wham/src-M/store_parm.F b/source/wham/src-M/store_parm.F
index 8c44422..f44b6f4 100644 (file)
--- a/source/wham/src-M/store_parm.F
+++ b/source/wham/src-M/store_parm.F
@@ -40,6 +40,7 @@ c Store weights
       ww_all(16,iparm)=wvdwpp
       ww_all(17,iparm)=wbond
       ww_all(19,iparm)=wsccor
+      ww_all(22,iparm)=wliptran
 c Store bond parameters
       vbldp0_all(iparm)=vbldp0
       akp_all(iparm)=akp
@@ -222,13 +223,16 @@ c Store the parameters of electrostatic interactions
 c Store sidechain parameters
       do i=1,ntyp
         do j=1,ntyp
-          aa_all(j,i,iparm)=aa(j,i)
-          bb_all(j,i,iparm)=bb(j,i)
+          aa_aq_all(j,i,iparm)=aa_aq(j,i)
+          bb_aq_all(j,i,iparm)=bb_aq(j,i)
+          aa_lip_all(j,i,iparm)=aa_lip(j,i)
+          bb_lip_all(j,i,iparm)=bb_lip(j,i)
           r0_all(j,i,iparm)=r0(j,i)
           sigma_all(j,i,iparm)=sigma(j,i)
           chi_all(j,i,iparm)=chi(j,i)
           augm_all(j,i,iparm)=augm(j,i)
           eps_all(j,i,iparm)=eps(j,i)
+          epslip_all(j,i,iparm)=epslip(j,i)
         enddo
       enddo
       do i=1,ntyp
@@ -311,6 +315,7 @@ c Restore weights
       wvdwpp=ww_all(16,iparm)
       wbond=ww_all(17,iparm)
       wsccor=ww_all(19,iparm)
+      wliptran=ww_all(22,iparm)
 c Restore bond parameters
       vbldp0=vbldp0_all(iparm)
       akp=akp_all(iparm)
@@ -492,13 +497,16 @@ c Restore the parameters of electrostatic interactions
 c Restore sidechain parameters
       do i=1,ntyp
         do j=1,ntyp
-          aa(j,i)=aa_all(j,i,iparm)
-          bb(j,i)=bb_all(j,i,iparm)
+          aa_aq(j,i)=aa_aq_all(j,i,iparm)
+          bb_aq(j,i)=bb_aq_all(j,i,iparm)
+          aa_lip(j,i)=aa_lip_all(j,i,iparm)
+          bb_lip(j,i)=bb_lip_all(j,i,iparm)
           r0(j,i)=r0_all(j,i,iparm)
           sigma(j,i)=sigma_all(j,i,iparm)
           chi(j,i)=chi_all(j,i,iparm)
           augm(j,i)=augm_all(j,i,iparm)
           eps(j,i)=eps_all(j,i,iparm)
+          epslip(j,i)=epslip_all(j,i,iparm)
         enddo
       enddo
       do i=1,ntyp