[gmx-users] To know
aniksen at csmcri.org
Wed May 2 09:12:41 CEST 2012
Am Anik Sen, using gromacs 3.3.2 version. I have a very simple question to ask,
In the mdp file, like the emmod.mdp or run.mdp needed for a MD run there are three factors namely, rlist, rcoulomb and rvdw.
1. Is there any minimum value for these three below which the results will be absurd for any system, or we can use any value for these?
2. For a system we are using 0.1. Is this a right one or not?
Please let me know so that I can go on with my work.
Thanks in advance
CSIR-Central Salt & Marine Chemicals Research Institute,
Gijubhai Badheka Marg.
Bhavnagar, Gujarat 364002
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