Mercurial > repos > chemteam > gmx_makendx
comparison test-data/minim.mdp @ 8:bff4c37097b5 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 2f3d14b4f200100881e362b0f3b97f0e8a36d1f3"
author | chemteam |
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date | Wed, 29 Sep 2021 07:44:19 +0000 |
parents | d9eb276dfa32 |
children |
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7:b3ae940ed305 | 8:bff4c37097b5 |
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10 coulombtype = PME ; Treatment of long range electrostatic interactions | 10 coulombtype = PME ; Treatment of long range electrostatic interactions |
11 rcoulomb = 1.0 ; Short-range electrostatic cut-off | 11 rcoulomb = 1.0 ; Short-range electrostatic cut-off |
12 rlist = 1.0 ; Cut-off distance for the short-range neighbor list. | 12 rlist = 1.0 ; Cut-off distance for the short-range neighbor list. |
13 rvdw = 1.0 ; Short-range Van der Waals cut-off | 13 rvdw = 1.0 ; Short-range Van der Waals cut-off |
14 pbc = xyz ; Periodic Boundary Conditions (yes/no) | 14 pbc = xyz ; Periodic Boundary Conditions (yes/no) |
15 gen-seed = 1 |