cg2at

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Hi I was wondering if you could provide me with the martini fragment files (.top and .pdb) for palmitoyl and farnesyl cysteines. These are important for my system. In CHARMM36...

anjukris

POPS & Lipid II updates

1

pstansfeld

Issues with CG2AT Backmapping - Peptidic bonds in cis configuration

3

Hello! I was trying to backmap a system containing a protein embedded in a POPC membrane. After running my system through CG2AT using the charmm36-jul2021 atomistic forcefield and martini_3-0_charmm36_Jul2021 as...

GilbertoPPereira

Issue finding information for residue: CYSD

2

Dear users and developers, Im running a simple test using a pure POPC membrane (boxsize10x10x10) generated by insane.py including PW and without protein. I run the following command cg2at -c...

skaswur

Development suggestion: Option to choose histidine tautomers/charge

1

Hi First of all, thank you for developing this amazing tool. Would it be possible to implement an option to choose (either interactively or specifying in a file) histidine tautomers...

KasperBuskPedersen

Converting to oplsaa

2

Hi Owen, CG2AT is having a bit of trouble trying to find information for residue CYS when trying to convert to -ff oplsaa -fg martini_2-2_charmm36. I believe it may be...

lxp974