comparison macros.xml @ 0:52e64e8cf203 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit a68f9fb01e0cfff122aef8ddce5c866c687a4f9a"

0:52e64e8cf203

<macros>
  <token name="@VERSION@">19.11</token>
  <xml name="requirements">
    <requirements>
      <requirement type="package" version="19.11">ambertools</requirement>
      <yield/>
    </requirements>
  </xml>
  <xml name="citations">
    <citations>
      <citation type="doi">10.1002/jcc.20290</citation>
      <citation type="bibtex">
        @misc{ambertools, author = {D.A. Case, I.Y. Ben-Shalom, S.R. Brozell, D.S. Cerutti, T.E. Cheatham, III, V.W.D. Cruzeiro, T.A. Darden, R.E. Duke, D. Ghoreishi, M.K. Gilson, H. Gohlke, A.W. Goetz, D. Greene, R Harris, N. Homeyer, S. Izadi, A.
        Kovalenko, T. Kurtzman, T.S. Lee, S. LeGrand, P. Li, C. Lin, J. Liu, T. Luchko, R. Luo, D.J. Mermelstein, K.M. Merz, Y. Miao, G. Monard, C. Nguyen, H. Nguyen, I. Omelyan, A. Onufriev, F. Pan, R. Qi, D.R. Roe, A. Roitberg, C. Sagui, S. Schott-Verdugo,
        J. Shen, C.L. Simmerling, J. Smith, R. Salomon-Ferrer, J. Swails, R.C. Walker, J. Wang, H. Wei, R.M. Wolf, X. Wu, L. Xiao, D.M. York and P.A. Kollman }, year = {2018}, title = {AMBER 2018}, publisher = {University of California, San Francisco}, url =
        {http://ambermd.org/CiteAmber.php}, }</citation>
      <yield/>
    </citations>
  </xml>
  <xml name="mmpbsa_citation">
     <citation type="doi">10.1021/ct300418h</citation>
  </xml>
</macros>