On 1/12/2010 3:55 PM, Jia Haitao wrote:
No, I did not miss any files in direction .ff. I even add a ffpolycg.itp in ../$GMXLIB. Is there any file like FF.dat ?
See pdb2gmx -h Mark
2010/12/1 Mark Abraham <[email protected] <mailto:[email protected]>>On 1/12/2010 3:17 PM, Jia Haitao wrote: Dear all, I have constructed a new CG force field named "polycg", and added them to direction ..$GMXLIB/polycg.ff. Can anybody tell me how to add my new force field to gromacs default force field list, in case I can use it to convert pdb files in program pdb2gmx. My gromacs version is 4.5. There is not FF.dat file in direction $GMXLIB any more. I will be very appreciate for your help. Look at the contents for the other force fields. There's probably something you don't have, like forcefield.doc Mark-- gmx-users mailing list [email protected]<mailto:[email protected]> http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected] <mailto:[email protected]>. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
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