[gmx-users] ATB and PRODRG

‪farial tavakoli‬ ‪ farial.tavakoli at ymail.com
Sat Jul 22 15:39:49 CEST 2017

Dear gmx users
I am using gromos96 54 a7 and gromos 96 a1 force fiels to simulate tow various complexes  ( protein + ligand). and  used ATB and PRODRG  to create topology files for them, respectively. I dont know anything about editing ATB and PRODRG' topology files but reassigingn their charges and charge groups . Is there anything else that I have to do to create a proper  topology file for GROMOACS?I would really appreciate for any help. 
Thanks in advanceFarial 

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