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A NIPAM polymer (10mer) immersed in (SPCE) water with Ca++ and Cl- ions
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using the *OPLSAA* force field.
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In this example, the NIPAM polymer
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(defined in [polyNIPAM_10mer.lt](./moltemplate_files/polyNIPAM_10mer.lt))
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(defined in [NIPAM_polymer_10mer.lt](./moltemplate_files/NIPAM_polymer_10mer.lt))
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was built from 10 "NIPAM_monomer" subunits
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(defined in [NIPAM.lt](./moltemplate_files/NIPAM.lt))
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and mixed with 500 SPCE water molecules,
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The number of molecules, positions, and simulation box size can be controlled by editing the [system.lt file](moltemplate_files/system.lt). The simulation contitions can be controlled by editing the [run_in.npt file](run_in.npt).
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## Atom types used
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<imgsrc="images/NIPAM_monomer_OPLS.jpg"width=200>
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## Instructions
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@@ -36,7 +39,7 @@ The number of molecules, positions, and simulation box size can be controlled by
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In this example, atomic charge for OPLSAA atoms is determined by @atom type
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*(...according to a lookup table located at the beginning of the
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