<div>Dear naimah,</div>
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<div>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. </div>
<div>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!</div>
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<div>Best Regards,</div>
<div>MH Kowsari</div>
<div>Isfahan University of Technology</div>
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<div>Message: 3<br>Date: Tue, 23 Feb 2010 21:05:34 -0800 (PST)<br>From: naimah haron naimah <<a href="mailto:cimot_ima98@yahoo.com">cimot_ima98@yahoo.com</a>><br>Subject: [gmx-users] Converting Gromacs output files to dl_poly output<br>
files.<br>To: gromacs <<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>><br>Message-ID: <<a href="mailto:133636.25838.qm@web36507.mail.mud.yahoo.com">133636.25838.qm@web36507.mail.mud.yahoo.com</a>><br>
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<div> Dear Gromacs users,</div>
<div>I simulated ionic liquids by GROMACS code. The force field that I used was OPLS-AA.<br>Now, I like continuous my work on these ionic systems by DL_POLY code. Have anyone know the<br>proper/simple way for converting GROMACS output files to DL_POLY output.<br>
Thanks</div>
<div>IMA</div>