[gmx-users] Re: Only Ligand(Without Receptor) MD Simulation with solvent(other than water.)
haresh.ajani at zyduscadila.com
Mon Apr 22 06:18:04 CEST 2013
Dear Justin thanks for your email.
I have tried those you mentioned in your email.
I have submitted molecule of interest in PRODRG and got a DRG.itp or DRG.pdb
I fired command pdb2gmx using DRG.pdb (obtained from PRODRG) using Gromos96
43a1 force field , but I received the follwoing fatel error:
"Residue "DRG" not found in residue topology database".
Let me know, how to handle this error ? please give me a brief step how to
do this ?
I hope you will give me a solution. Thanks in advance
Thanks & Regards,
View this message in context: http://gromacs.5086.x6.nabble.com/Only-Ligand-Without-Receptor-MD-Simulation-with-solvent-other-than-water-tp5007488p5007537.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
More information about the gromacs.org_gmx-users