minor patch to getting parameter file name interactively

Author: jayponder

example/halicin.key

@@ -0,0 +1 @@
+parameters        ../params/basic

example/halicin.xyz

@@ -0,0 +1,19 @@
+    18  Halicin (antibiotic discovered via AI)
+     1  S      1.848800    1.105200    0.841200   162    11    12
+     2  S     -0.907200    2.070000    0.007600   162    11    14
+     3  S     -3.705700    0.927800   -0.357600   162    14    15
+     4  O      4.473200   -1.398400   -0.525000    81     7
+     5  O      4.476700   -0.100900    1.245800    81     7
+     6  N      0.609800    0.266700   -1.267000    72    11    13
+     7  N      3.903700   -0.536900    0.205600    73     4     5    12
+     8  N     -1.741700   -0.414000    0.595500    72     9    14
+     9  N     -2.820600   -1.280700    0.593200    72     8    15
+    10  N     -5.117000   -1.309600   -0.001800    73    15    17    18
+    11  C      0.514000    1.077800   -0.237100    63     1     2     6
+    12  C      2.633100   -0.063400   -0.138800    63     1     7    13
+    13  C      1.825500   -0.386700   -1.209000    63     6    12    16
+    14  C     -2.085600    0.750200    0.126500    63     2     3     8
+    15  C     -3.906700   -0.707000    0.120900    63     3     9    10
+    16  H      2.070000   -1.098100   -1.987100    11    13
+    17  H     -5.264100   -2.275100    0.273300    11    10
+    18  H     -5.923600   -0.818800   -0.373600    11    10

example/nitrate.key

@@ -1,3 +1,2 @@
 parameters     nitrate.prm
 verbose
-

example/pravastatin.xyz

@@ -1,4 +1,4 @@
-    66  Pravastatin (PubChem Conformation)
+    66  Pravastatin (water-soluble statin)
      1  O      2.072500    1.051200   -0.176000    82    10    23
      2  O      6.139300   -0.304000   -0.067700    82    15    51
      3  O     -2.520000   -1.887400   -2.801300    82    21    54

params/basic.prm

@@ -269,8 +269,10 @@ angle        72   63  162      35.00     120.00
 angle        73   63   73      70.00     120.00
 angle        73   63   81      80.00     120.00
 angle        73   63   82      60.00     120.00
+angle        73   63  162      70.00     120.00
 angle        81   63   81      80.00     120.00
 angle        81   63   82      80.00     120.00
+angle       162   63  162      70.00     120.00
 angle        11   64   11      35.00     109.50
 angle        11   64   62      35.00     109.50
 angle        11   64   63      35.00     109.50

source/getprm.f

@@ -156,6 +156,10 @@ subroutine getprm
                end if
                call suffix (prmfile,'prm','old')
                inquire (file=prmfile,exist=exist)
+               if (exist) then
+                  nfile = nfile + 1
+                  ifile(nfile) = prmfile
+               end if
             end if
          end do
       end if