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Hi,<BR>
I am trying to simulate a system using the parameters for ions developed by Joung et al. and implemented in Amber (frcmod.ionsjc_spce).<BR>
I have the topology and the crd file. Now, I want to obtain the topology for Gromacs using amb2gmx.pl, so I must change the default parameters (for tip3p) included in amb2gmx.pl.<BR>
I have seen that in the .tar file ffamber_v4.0 there is no a corresponding itp file for spc model of water in amber, so what parameters should I include for the section of bondtypes, angletypes, atoms, bonds, angles, settles,...? Those corresponding to the SCP in Gromacs directly? <BR>
Thank you very much for your help.<BR>
Best wishes,<BR>
<BR>
Rebeca Garcia <BR>
Academic Visitor<BR>
Oxford University<BR><br /><hr />Charlas más divertidas con el nuevo <a href='http://download.live.com' target='_new'>Windows Live Messenger</a></body>
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