amberparm_mass_to_lt.py
16eed7a05366efficient_neuronet

amberparm_mass_to_lt.py
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			#!/usr/bin/env python

			import sys

			lines_gaff = sys.stdin.readlines()

			sys.stdout.write(' write_once(\"Data Masses\") {\n')

			for i in range(0, len(lines_gaff)):
			line = lines_gaff[i]
			tokens= line.split()
			atype = tokens[0]
			mass=tokens[1]
			# what is the next number? (the one in tokens[2]?)
			comments=' '.join(tokens[3:])
			sys.stdout.write(' @atom:'+atype+' '+mass+' # '+comments+'\n')

			sys.stdout.write(' } # (end of masses)\n')
			sys.stdout.write('\n')