[gmx-users] MW particle type in TIP4Pew
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.
More information about the gromacs.org_gmx-users