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Parameter Set Discussion
Jump to new posts Re: patch residue problem by rmv @ Yesterday at 11:05 AM

The warning means that applying the patch results in a non-integer charge for the molecule; you need to take the charges of the deleted hydrogens into account.
CHARMM-GUI
Jump to new posts Charmm-gui "Martini to aa converter" - Cardiolipin by Alessio88 @ Yesterday at 07:59 AM

Hi everyone, I am encountering a problem with the Martini to all-atom converter tool in Charmm-gui. Specifically, whenever I try to convert membranes containing cardiolipins, it packs cardiolipins separately from other lipids, and clusters them into
Other User Discussion and Questions
Jump to new posts Re: CHARMM topology files PRES by Mitra @ Yesterday at 06:59 AM

Thanks for the answer! I think I got it now.
Parameter Set Discussion
Jump to new posts Re: CGenFF error generating ivermectin parameters by lewiso1 @ 08/16/17 08:24 PM

As usual - the problem solved itself. I either didn't see the .str file or my browser didn't load it properly and all I got was the errors. In any case, it works now. Cheers!
CHARMM-GUI
Jump to new posts Charmm-gui DPC toppar file by paxgs1 @ 08/14/17 04:51 PM

Hello all, I am confused by the charmm-gui micelle generator to make systems containing DPC. The toppar file for DPC generated contains just parameters e.g.: ANGLES OSL SL OSL 130.00 109.47 35.0 2.45 ! LIPID methylsulfate OSL SL CTL