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Tsjerk / Insane

INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
GNU General Public License v2.0
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CDLs problem #88

Open chaofan520 opened 3 days ago

chaofan520 commented 3 days ago

Where to find the itp file of CDL2 for insane?

atom name 22004 in ../topol.top and ../membrane_with_proteinsW.gro does not match (GL0 - GL5)
atom name 22004 in ../topol.top and ../membrane_with_proteinsW.gro does not match (GL0 - GL5)

atom name 22006 in ../topol.top and ../membrane_with_proteinsW.gro does not match (GL11 - GL1)

atom name 22006 in ../topol.top and ../membrane_with_proteinsW.gro does not match (GL11 - GL1)

atom name 22007 in ../topol.top and ../membrane_with_proteinsW.gro does not match (GL21 - GL2)

atom name 22007 in ../topol.top and ../membrane_with_proteinsW.gro does not match (GL21 - GL2)

atom name 22008 in ../topol.top and ../membrane_with_proteinsW.gro does not match (C1A1 - C1A)

atom name 22008 in ../topol.top and ../membrane_with_proteinsW.gro does not match (C1A1 - C1A)

atom name 22009 in ../topol.top and ../membrane_with_proteinsW.gro does not match (C2A1 - C2A)
chaofan520 commented 3 days ago

@Tsjerk

chaofan520 commented 3 days ago

https://github.com/marrink-lab/TS2CG1.1/blob/master/Tutorials/files/itp/martini3/martini_v3.0_CDLs.itp

Not work!!

chaofan520 commented 3 days ago

"CDL2": (moltype, "GL5 PO41 GL1 GL2 C1A C2A D3A C4A C5A - C1B C2B D3B C4B C5B - PO42 GL3 GL4 C1C C2C D3C C4C C5C - C1D C2D D3D C4D C5D -"), # Warning not the same names is in .itp