[gmx-users] Force field parameters not known
matthewstoodley at rocketmail.com
Thu Feb 21 11:59:17 CET 2019
I am currently trying to perform a simulation on a chemical molecular machine but whenever I try and do the pdb2gmx command and select a force field it comes up with the message 'the residue DVHY is not recognised'. From my understanding what I should do is to update the residue in the specific force field that I want to use. I have tried using the command line:
cp-r $GMXLIB/residuetypes.dat $GMXLIB/amber99sb.ff
as it says to use this on the gromacs website but it says the command is not recognised. I am using GROMACS 5.0.4.
Any help would be appreciated.Thanks,Matthew
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