I need .gro, .itp, and .prm file for heteroatom for simulations of TM-proteins. Automated Topology Builder is not generating these files. Similar is the case with PRODRG? Any suggestions please.
Kalindu Fernando
Hi Zeeshan,
You can try with ATB server .
https://atb.uq.edu.au/index.py
Hope this will help you !
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Zeeshan Zafar
Hi Kalindu Fernando ,
It does not generate these file for GROMOS96_54A7. I have used LiParGen. But it does not generate .prm file for GROMOS. It does for Charmm but it results in error.
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Kalindu Fernando
Hi Zeeshan Zafar ,
You can try with Charmm GUI to generate prm file using ligand reader and modeler, ATB does not provide prm file.
https://charmm-gui.org/?doc=input
Hope this may help you !
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