[gmx-users] MW particle type in TIP4Pew

Mandar Kulkarni mandar.kulkarni.chem at gmail.com
Sun Apr 14 12:17:46 CEST 2019

I am simulating protein using amber14sb with TIP4Pew water. I found that
particle type for dummy mass MW in TIP4Pew is D in gromacs force field
files and type A in user contributed version of amber14sb. Even acpype
converted topology gives type A for MW.

My understanding is that type D is correct for MW atomtype. but, I just
want to make sure that before proceeding to production runs.

Any suggestions will be helpful. Thanks in advance.

Mandar Kulkarni

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