I have created one file named it as "forcefield.doc" and paste the contents of "forcefield.itp" into it and also include "lipid.itp file.The content of my "forcefield.doc" file is given below:
#define _FF_GROMOS96 #define _FF_GROMOS53A6 [ defaults ] ; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ 1 1 no 1.0 1.0 #include "ffnonbonded.itp" #include "ffbonded.itp" #include "lipid.itp" Let me know whether it is correct or not. On Mon, Jan 23, 2012 at 12:17 PM, Mark Abraham <[email protected]>wrote: > On 23/01/2012 5:13 PM, Anushree Tripathi wrote: > > *I am using gromacs 4.5.3 version and I am trying to follow the tutorials. > For ** starting I am following the *KALP15 in DPPC* ** > tutorial(http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/02_topology.html). > > *I am not getting the point that is given below : > Next, create a forcefield.doc file that contains a description of the force > field parameters in it. Mine contains something like: > > > GROMOS 53A6 forcefield , extended to include Berger force field parameter. > > Please guide me for creating forcefield.doc. > > > > Have a look at the contents of this file in the pre-supplied force fields. > Then look at the normal output of pdb2gmx. The former is used in the latter > to help you pick the force field you want to use. > > Mark > > -- > gmx-users mailing list [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]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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