Dear naimah, I have certainly inverse problem. I simulated several imidazolium-based ILs by DL_POLY code using of all- atom Canongia Lopes force field parameters (JPC B 2004); but now I like more study these liquids by GROMACS code. I think that you should firstly convert GROMACS input files (*.gro, *.top/*.itp, *.mdp) to DL_POLY input files (CONFIG, CONTROL, and FIELD). afterwards, you can start simulations with DL_POLY and get the OUTPUTs. what is the specific source of your OPLS_AA force field!. Is it from Lopes parameters?!. if I see your GROMACS input files of ILs , may be I can help you for constructing of DL_POLY file. by this order, may be my problem will be also solved because I start with GROMACS code now, while I worked by DL_POLY several years. I needed any help for convert IL input files of DL_POLY to GROMACS!
Best Regards, MH Kowsari Isfahan University of Technology ------------------------------------------------------------------------------------------ Message: 3 Date: Tue, 23 Feb 2010 21:05:34 -0800 (PST) From: naimah haron naimah <cimot_im...@yahoo.com> Subject: [gmx-users] Converting Gromacs output files to dl_poly output files. To: gromacs <gmx-users@gromacs.org> Message-ID: <133636.25838...@web36507.mail.mud.yahoo.com> Content-Type: text/plain; charset="us-ascii" Dear Gromacs users, I simulated ionic liquids by GROMACS code. The force field that I used was OPLS-AA. Now, I like continuous my work on these ionic systems by DL_POLY code. Have anyone know the proper/simple way for converting GROMACS output files to DL_POLY output. Thanks IMA
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