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# Maintainer: Hector <hsearaDOTatDOTgmailDOTcom>
pkgname=gromacs-2016-complete-charmm36
pkgver=201707
_gromacs_ver=2016.5
pkgrel=1
pkgdesc='CHARMM36 force field in GROMACS format.'
url='http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs'
license=("GPL")
arch=('any')
depends=("gromacs-2016-complete=${_gromacs_ver}")
source=(http://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-jul2017.ff.tgz)
sha1sums=('b5881c571da0fe3cf064fb4643e0428ad48bbf1c')
package() {
msg2 "Installing charmm36 forcefield files in Gromacs"
mkdir -p ${pkgdir}/usr/local/gromacs/gromacs-${_gromacs_ver}/share/gromacs/top/charmm36.ff
cp ${srcdir}/charmm36-*/* ${pkgdir}/usr/local/gromacs/gromacs-${_gromacs_ver}/share/gromacs/top/charmm36.ff/
chmod 644 ${pkgdir}/usr/local/gromacs/gromacs-${_gromacs_ver}/share/gromacs/top/charmm36.ff/*
}
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