Diego Prada-Gracia dprada

## BAK_many_ffs.ipynb

      
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              June 14, 2020 22:35
            
              
                Does the forcefield and/or solvent conditions matter just to relax a small peptide model?
              
          
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## gist:2cc7a422976dd8eefa73a50aca3482f6
{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# How relevant are the forcefield and solvent conditions if just a not-very-stressed structure want to be obtained with a minimization\n",
    "\n",
    "The original model was minimized with Charmm22. This structure will be the starting point for 6 minizations with two forcefields and three different solvent conditions:\n",
    "\n",
	{
	"cells": [
	{
	"cell_type": "markdown",
	"metadata": {},
	"source": [
	"# How relevant are the forcefield and solvent conditions if just a not-very-stressed structure want to be obtained with a minimization\n",
	"\n",
	"The original model was minimized with Charmm22. This structure will be the starting point for 6 minizations with two forcefields and three different solvent conditions:\n",
	"\n",