Topology Manipulation: Difference between revisions

Topology Manipulation (view source)

430 bytes added , 4 July 2018

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 Navigation: [[Documentation]] / [[Commands]] / [[Topology Manipulation]]
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-* [[top2delphi]]
+{|  class="wikitable"
-* [[top2params]]
+| '''Command'''
-* [[topcharges]]
+| '''Description'''
-* [[topcut]]
+|-
-* [[topinfo]]
+| [[top2delphi]]
-* [[topjoinmol]]
+| extract radii and charges for calculation in delphi
-* [[topmask]]
+|-
-* [[topremixlj]]
+| [[top2params]]
+| extract force field parameters from topology
+|-
+| [[topcharges]]
+| manipulate with atomic charges in topology
+|-
+| [[topcut]]
+| create a subtopology from topology
+|-
+| [[topinfo]]
+| print info about topology
+|-
+| [[topjoinmol]]
+| change number of atoms in solute (for pressure scaling)
+|-
+| [[topmask]]
+| print atoms according to a mask
+|-
+| [[topremixlj]]
+| remix LJ parameters for unlike atoms
+|}