From: Victor Kwan (vkwan8_at_uwo.ca)
Date: Tue Jan 23 2018 - 22:16:11 CST
For the topology file, read:
On 23/01/2018 11:03 PM, Victor Kwan wrote:
> Hi Ahmed,
> Mixing parameters from different force fields are not recommended
> (unless you can justify it physically). That said, you can extract the
> H3O+ parameters from AMBER, and add it to your charmm parameter file.
> On 23/01/2018 1:13 PM, Ahmad Kiani wrote:
>> Dear NAMD users
>> I'm trying to put some hydronium ions in my water box butI didn't
>> find any toppalogy or parameter file for this ion. I know that people
>> are using Baaden’s parameters in Amber but I’m using CHARMM. Do you
>> know how can I build psf file forH3O+to use it in NAMD?
This archive was generated by hypermail 2.1.6 : Fri Dec 06 2019 - 23:19:30 CST